[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO3/c1-14(2)17-7-4-16(5-8-17)6-13-20(24)26-15(3)21(25)23-19-11-9-18(22)10-12-19/h4-15H,1-3H3,(H,23,25)/b13-6+