(2-azanyl-2-oxidanylidene-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6/c1-19-13-7-6-10(8-14(13)20(24)25)16(22)11-4-2-3-5-12(11)17(23)26-9-15(18)21/h2-8,19H,9H2,1H3,(H2,18,21)