phenacyl 4-[[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: phenacyl 4-[[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: phenacyl 4-[[5-[2-(4-nitrophenyl)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(4-nitrophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[[5-[2-(4-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[2-keto-2-(4-nitrophenyl)ethoxy]pentanoyl]amino]benzoic acid phenacyl 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)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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