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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-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-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H20BrFN2O3 MolecularWeight: 423.276103

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C=CC1=C(C=CC(=C1)Br)F)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C=C/C1=C(C=CC(=C1)Br)F)C2(CCCCC2)C#N

InChI

InChI=1S/C19H20BrFN2O3/c1-23(19(13-22)9-3-2-4-10-19)17(24)12-26-18(25)8-5-14-11-15(20)6-7-16(14)21/h5-8,11H,2-4,9-10,12H2,1H3/b8-5+