[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(5-oxidanylidene-5-phenacyloxy-pentanoyl)amino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(5-oxidanylidene-5-phenacyloxy-pentanoyl)amino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[(5-oxo-5-phenacyloxy-pentanoyl)amino]benzoate CAS Name: 4-[(1,5-dioxo-5-phenacyloxypentyl)amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(5-oxo-5-phenacyloxypentanoyl)amino]benzoate Traditional Name: 4-[(5-keto-5-phenacyloxy-pentanoyl)amino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C28H24N2O9 MolecularWeight: 532.49816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H24N2O9/c31-24(19-6-2-1-3-7-19)17-38-27(34)11-5-10-26(33)29-22-14-12-20(13-15-22)28(35)39-18-25(32)21-8-4-9-23(16-21)30(36)37/h1-4,6-9,12-16H,5,10-11,17-18H2,(H,29,33)