[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C23H20N4O6/c24-22(29)16-6-8-17(9-7-16)26-21(28)14-33-23(30)19-12-18(27(31)32)10-11-20(19)25-13-15-4-2-1-3-5-15/h1-12,25H,13-14H2,(H2,24,29)(H,26,28)