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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C22H18N4O7 MolecularWeight: 450.40092

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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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O7/c27-21(24-19-8-4-5-9-20(19)26(31)32)14-33-22(28)17-12-16(25(29)30)10-11-18(17)23-13-15-6-2-1-3-7-15/h1-12,23H,13-14H2,(H,24,27)