[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4/c1-13-3-7-16(8-4-13)21-18(22)12-25-19(23)10-5-14-11-15(20)6-9-17(14)24-2/h3-11H,12H2,1-2H3,(H,21,22)/b10-5+