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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H12BrFN2O3 MolecularWeight: 355.159083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C14H12BrFN2O3/c15-11-3-4-12(16)10(8-11)2-5-14(20)21-9-13(19)18-7-1-6-17/h2-5,8H,1,7,9H2,(H,18,19)/b5-2+