[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H17ClN2O5/c1-2-27-11-16-15-5-3-4-6-18(15)29-20(16)21(26)28-12-19(25)24-17-9-14(22)8-7-13(17)10-23/h3-9H,2,11-12H2,1H3,(H,24,25)