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

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(4-cyanoanilino)-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-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)Br

InChI

InChI=1S/C20H17BrN2O3/c1-13-3-6-16(18(21)11-13)7-10-19(24)26-14(2)20(25)23-17-8-4-15(12-22)5-9-17/h3-11,14H,1-2H3,(H,23,25)/b10-7+/t14-/m1/s1