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

Systemtic Name: propyl 4-[[4-[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H21ClN2O8 MolecularWeight: 476.86374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O8/c1-2-11-32-22(29)14-3-6-16(7-4-14)24-20(27)9-10-21(28)33-13-19(26)15-5-8-17(23)18(12-15)25(30)31/h3-8,12H,2,9-11,13H2,1H3,(H,24,27)