[2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(p-tolylmethylcarbamoyl)anilino]ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-[2-[(4-methylbenzyl)carbamoyl]anilino]ethyl] ester Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O6/c1-15-6-8-16(9-7-15)13-26-23(30)18-4-2-3-5-20(18)27-22(29)14-34-24(31)17-10-11-19(25)21(12-17)28(32)33/h2-12H,13-14,25H2,1H3,(H,26,30)(H,27,29)