[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-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)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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