(1-oxidanylidene-1-phenyl-propan-2-yl) 4-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-[[5-[2-(3-nitrophenyl)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[2-keto-2-(3-nitrophenyl)ethoxy]pentanoyl]amino]benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C29H26N2O9 MolecularWeight: 546.52474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O9/c1-19(28(35)20-7-3-2-4-8-20)40-29(36)21-13-15-23(16-14-21)30-26(33)11-6-12-27(34)39-18-25(32)22-9-5-10-24(17-22)31(37)38/h2-5,7-10,13-17,19H,6,11-12,18H2,1H3,(H,30,33)