Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate
Basic information
- CAS
60376-73-0- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(Oc2ccccc2)c(S(=O)(=O)N=CN(C)C)c1- InChIKey
YPJZKQJKYXBDDW-UHFFFAOYSA-N- Molecular formula
- C17H17N3O7S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.07872106
Names & identifiers
- Preferred name
- Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate
- IUPAC
- methyl 3-(dimethylaminomethylideneamino)sulfonyl-5-nitro-4-phenoxybenzoate
- English name
- methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-5-nitro-4-phenoxybenzoate
- Molecular formula
- C17H17N3O7S
- Molecular weight
- 407.4
Names & synonyms
Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoateEINECS 262-204-8methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-5-nitro-4-phenoxybenzoateRefChem:814687262-204-860376-73-0SCHEMBL573657SCHEMBL574029SCHEMBL10222900DTXSID40975783YPJZKQJKYXBDDW-UHFFFAOYSA-NDB-136075
Show more names
Benzoic acid, 3-[[[(dimethylamino)methylene]amino]sulfonyl]-5-nitro-4-phenoxy-, methyl ester
NS00055878Methyl 3-{[(dimethylamino)methylidene]sulfamoyl}-5-nitro-4-phenoxybenzoate3-[[[(Dimethylamino)methylene]amino]sulfonyl]-5-nitro-4-phenoxybenzoic acid methyl ester
Database identifiers
- CAS
60376-73-0- PubChem CID
- 108447
- DTXSID
DTXSID40975783- EC Number
- 262-204-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 678
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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