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

Systemtic Name: methyl 4-[[4-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O8/c1-29-20(26)13-5-7-15(8-6-13)21-18(24)9-10-19(25)30-12-17(23)14-3-2-4-16(11-14)22(27)28/h2-8,11H,9-10,12H2,1H3,(H,21,24)