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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(isopropylamino)-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-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C14H15BrFNO3 MolecularWeight: 344.176203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C=CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CC(C)NC(=O)COC(=O)/C=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C14H15BrFNO3/c1-9(2)17-13(18)8-20-14(19)6-3-10-7-11(15)4-5-12(10)16/h3-7,9H,8H2,1-2H3,(H,17,18)/b6-3+