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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C18H17ClN2O4/c1-11-13-8-12(19)4-5-14(13)25-16(11)17(23)24-9-15(22)21-18(10-20)6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3,(H,21,22)