N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-nitrobenzamide
Basic information
- CAS
303760-69-2- Standard SMILES
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC- InChIKey
JYGZAJRELBVVTL-RQZCQDPDSA-N- Molecular formula
- C16H14N4O7
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.0862488
Names & identifiers
- Preferred name
- N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-nitrobenzamide
- IUPAC
- N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-nitrobenzamide
- English name
- N'-(4,5-dimethoxy-2-nitrobenzylidene)-3-nitrobenzohydrazide
- Molecular formula
- C16H14N4O7
- Molecular weight
- 374.3
Names & synonyms
ZINC33395241MFCD00567274STK048231AKOS000484006N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-nitrobenzamideST035935ZINC0000029381423-NITRO-BENZOIC ACID (4,5-DIMETHOXY-2-NITRO-BENZYLIDENE)-HYDRAZIDECOc1cc((N+)(=O)(O))c(cc1OC)C=NNC(=O)c1cccc(c1)(N+)(=O)(O)N((1E)2(45DIMETHOXY2NITROPHENYL)1AZAVINYL)(3NITROPHENYL)CARBOXAMIDEN((E)(45DIMETHOXY2NITROPHENYL)METHYLIDENE)3NITROBENZOHYDRAZIDEN((E)(45DIMETHOXY2NITROPHENYL)METHYLIDENEAMINO)3NITROBENZAMIDE
Show more names
N'-(4,5-dimethoxy-2-nitrobenzylidene)-3-nitrobenzohydrazideBenzoic acid, 3-nitro-, 2-[(4,5-dimethoxy-2-nitrophenyl)methylene]hydrazide
COC1=C(C=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)(N+)(=O)(O))(N+)(=O)(O))OCN-[(1E)-2-(4,5-dimethoxy-2-nitrophenyl)-1-azavinyl](3-nitrophenyl)carboxamide303760-69-2
Database identifiers
- CAS
303760-69-2- PubChem CID
- 5331330
- EC Number
- 168-084-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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