[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H18ClFN2O3 MolecularWeight: 352.787823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H18ClFN2O3/c1-11(15(22)21-17(10-20)8-3-2-4-9-17)24-16(23)14-12(18)6-5-7-13(14)19/h5-7,11H,2-4,8-9H2,1H3,(H,21,22)