[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C=CC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)/C=C/C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H17BrN2O3/c1-12(16(21)19(2)11-3-10-18)22-15(20)9-6-13-4-7-14(17)8-5-13/h4-9,12H,3,11H2,1-2H3/b9-6+/t12-/m1/s1