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

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-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-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-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(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-13-6-4-7-14(2)19(13)22-20(24)15(3)25-18(23)11-10-16-8-5-9-17(21)12-16/h4-12,15H,1-3H3,(H,22,24)/b11-10+