[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H18N2O4/c1-11-5-4-6-12(14(11)20)15(21)22-9-13(19)18-16(10-17)7-2-3-8-16/h4-6,20H,2-3,7-9H2,1H3,(H,18,19)