[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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