[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrNO3/c1-13-5-4-6-14(2)19(13)22-20(24)15(3)25-18(23)12-9-16-7-10-17(21)11-8-16/h4-12,15H,1-3H3,(H,22,24)/b12-9+