[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4/c1-13-3-8-18(17(21)9-13)23-19(24)12-27-20(25)15(11-22)10-14-4-6-16(26-2)7-5-14/h3-10H,12H2,1-2H3,(H,23,24)