methyl 4-[[4-[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[4-[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: methyl 4-[[4-[2-(4-chloro-3-nitro-phenyl)-2-oxo-ethoxy]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-1,4-dioxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-[2-(4-chloro-3-nitro-phenyl)-2-keto-ethoxy]-4-keto-butanoyl]amino]benzoic acid methyl ester Formula: C20H17ClN2O8 MolecularWeight: 448.81058

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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(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O8/c1-30-20(27)12-2-5-14(6-3-12)22-18(25)8-9-19(26)31-11-17(24)13-4-7-15(21)16(10-13)23(28)29/h2-7,10H,8-9,11H2,1H3,(H,22,25)