[2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[2-(p-tolylmethylcarbamoyl)anilino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[2-[(4-methylbenzyl)carbamoyl]anilino]ethyl] ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O6/c1-16-9-11-17(12-10-16)14-25-23(29)20-7-2-3-8-21(20)26-22(28)15-33-24(30)18-5-4-6-19(13-18)27(31)32/h2-13H,14-15H2,1H3,(H,25,29)(H,26,28)