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

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-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-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4/c1-13-4-5-14(2)17(10-13)22-19(23)12-26-20(24)9-6-15-11-16(21)7-8-18(15)25-3/h4-11H,12H2,1-3H3,(H,22,23)/b9-6+