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

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)OC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C20H17BrN2O4/c1-13(19(24)23-17-7-5-16(21)6-8-17)27-20(25)15(12-22)11-14-3-9-18(26-2)10-4-14/h3-11,13H,1-2H3,(H,23,24)/b15-11+/t13-/m1/s1