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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC2=C(O1)C=CC(=C2)Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC2=C(O1)C=CC(=C2)Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C19H19ClN2O4/c1-22(19(12-21)7-3-2-4-8-19)17(23)11-25-18(24)16-10-13-9-14(20)5-6-15(13)26-16/h5-6,9-10H,2-4,7-8,11H2,1H3