[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H11ClN2O4 MolecularWeight: 354.74394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C#N

InChI

InChI=1S/C18H11ClN2O4/c19-13-4-5-15-12(7-13)8-16(25-15)18(23)24-10-17(22)21-14-3-1-2-11(6-14)9-20/h1-8H,10H2,(H,21,22)