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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(isobutylamino)-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-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H17BrFNO3 MolecularWeight: 358.202783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrFNO3/c1-10(2)8-18-14(19)9-21-15(20)6-3-11-7-12(16)4-5-13(11)17/h3-7,10H,8-9H2,1-2H3,(H,18,19)/b6-3+