[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OC(C)C(=O)NCC=C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)O[C@H](C)C(=O)NCC=C)Br

InChI

InChI=1S/C16H18BrNO3/c1-4-9-18-16(20)12(3)21-15(19)8-7-13-6-5-11(2)10-14(13)17/h4-8,10,12H,1,9H2,2-3H3,(H,18,20)/b8-7+/t12-/m1/s1