[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O6/c23-21(28)14-6-9-17(10-7-14)25-20(27)13-32-22(29)15-8-11-18(19(12-15)26(30)31)24-16-4-2-1-3-5-16/h1-12,24H,13H2,(H2,23,28)(H,25,27)