[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C21H17ClN2O4/c1-12-3-6-17-15(10-28-21(17)13(12)2)7-20(26)27-11-19(25)24-16-5-4-14(9-23)18(22)8-16/h3-6,8,10H,7,11H2,1-2H3,(H,24,25)