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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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