Basic information
- CAS
5322-30-5- Standard SMILES
NC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1- InChIKey
AQRZOPLECMITMN-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.07495584
Names & identifiers
- Preferred name
- 3-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzamide
- IUPAC
- 3-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
Names & synonyms
CDS1_0040345322-30-53-[(2-hydroxy-5-nitrobenzylidene)amino]benzamideCBMicro_017538DivK1c_005074SCHEMBL22624737DTXSID204167853-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzamideCCG-6129STK089628AKOS000484413BIM-0017437.P001
Show more names
ST45030936SR-01000204545SR-01000204545-13-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide3-[(1E)-2-(2-hydroxy-5-nitrophenyl)-1-azavinyl]benzamide3-{[(E)-(3-Nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}benzamide
Database identifiers
- CAS
5322-30-5- PubChem CID
- 794871
- DTXSID
DTXSID20416785
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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