[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-13-5-8-18(15(3)10-13)22-19(23)12-25-20(24)9-7-16-6-4-14(2)11-17(16)21/h4-11H,12H2,1-3H3,(H,22,23)/b9-7+