[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-19-14-8-5-12(9-15(14)21(25)26)18(24)28-10-16(22)20-13-6-3-11(4-7-13)17(23)27-2/h3-9,19H,10H2,1-2H3,(H,20,22)