2-[[2-(4-chlorophenyl)carbonyl-3-(2-cyanoethyl)-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)carbonyl-3-(2-cyanoethyl)-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-(4-chlorobenzoyl)-3-(2-cyanoethyl)benzofuran-6-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[2-[(4-chlorophenyl)-oxomethyl]-3-(2-cyanoethyl)-6-benzofuranyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[2-(4-chlorobenzoyl)-3-(2-cyanoethyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[2-(4-chlorobenzoyl)-3-(2-cyanoethyl)benzofuran-6-yl]amino]-2-keto-acetic acid Formula: C20H13ClN2O5 MolecularWeight: 396.78062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)C(=O)O)CCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=C(C=C3)NC(=O)C(=O)O)CCC#N)Cl

InChI

InChI=1S/C20H13ClN2O5/c21-12-5-3-11(4-6-12)17(24)18-15(2-1-9-22)14-8-7-13(10-16(14)28-18)23-19(25)20(26)27/h3-8,10H,1-2H2,(H,23,25)(H,26,27)