[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClNO6/c1-11(19(23)22-14-5-7-16(25-2)17(10-14)26-3)27-20(24)18-9-12-8-13(21)4-6-15(12)28-18/h4-11H,1-3H3,(H,22,23)