[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H16BrFN2O3 MolecularWeight: 383.212243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H16BrFN2O3/c17-11-4-5-13(18)12(8-11)15(22)23-9-14(21)20-16(10-19)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,20,21)