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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C23H20N4O8 MolecularWeight: 480.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O8/c1-34-17-8-10-20(21(12-17)27(32)33)25-22(28)14-35-23(29)18-11-16(26(30)31)7-9-19(18)24-13-15-5-3-2-4-6-15/h2-12,24H,13-14H2,1H3,(H,25,28)