phenacyl 4-[[4-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: phenacyl 4-[[4-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: phenacyl 4-[[4-[2-(3-nitrophenyl)-2-oxo-ethoxy]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[2-(3-nitrophenyl)-2-oxoethoxy]-1,4-dioxobutyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[[4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-keto-4-[2-keto-2-(3-nitrophenyl)ethoxy]butanoyl]amino]benzoic acid phenacyl ester Formula: C27H22N2O9 MolecularWeight: 518.47158

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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)CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O9/c30-23(18-5-2-1-3-6-18)17-38-27(34)19-9-11-21(12-10-19)28-25(32)13-14-26(33)37-16-24(31)20-7-4-8-22(15-20)29(35)36/h1-12,15H,13-14,16-17H2,(H,28,32)