[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H16BrFN2O3 MolecularWeight: 395.222943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H16BrFN2O3/c18-13-4-5-14(19)12(9-13)3-6-16(23)24-10-15(22)21-17(11-20)7-1-2-8-17/h3-6,9H,1-2,7-8,10H2,(H,21,22)/b6-3+