[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C=CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C20H20BrNO3/c1-3-16-6-4-5-14(2)20(16)22-18(23)13-25-19(24)12-9-15-7-10-17(21)11-8-15/h4-12H,3,13H2,1-2H3,(H,22,23)/b12-9+