[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H14BrFN2O3 MolecularWeight: 417.228463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C19H14BrFN2O3/c1-12(19(25)23-16-4-2-3-13(9-16)11-22)26-18(24)8-5-14-10-15(20)6-7-17(14)21/h2-10,12H,1H3,(H,23,25)/b8-5+