methyl 2-[[3-(2-nitrophenyl)-2-oxidanylidene-propanoyl]amino]-4-[(phenylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 2-[[3-(2-nitrophenyl)-2-oxidanylidene-propanoyl]amino]-4-[(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-(benzylcarbamoyl)-2-[[3-(2-nitrophenyl)-2-oxo-propanoyl]amino]benzoate CAS Name: 2-[[3-(2-nitrophenyl)-1,2-dioxopropyl]amino]-4-[oxo-[(phenylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamoyl)-2-[[3-(2-nitrophenyl)-2-oxopropanoyl]amino]benzoate Traditional Name: 4-(benzylcarbamoyl)-2-[[2-keto-3-(2-nitrophenyl)propanoyl]amino]benzoic acid methyl ester Formula: C25H21N3O7 MolecularWeight: 475.45014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)NC(=O)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)NC(=O)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O7/c1-35-25(32)19-12-11-18(23(30)26-15-16-7-3-2-4-8-16)13-20(19)27-24(31)22(29)14-17-9-5-6-10-21(17)28(33)34/h2-13H,14-15H2,1H3,(H,26,30)(H,27,31)