[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (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-1-methyl-ethyl] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-13-5-6-14(2)18(11-13)23-21(25)15(3)27-20(24)10-7-16-12-17(22)8-9-19(16)26-4/h5-12,15H,1-4H3,(H,23,25)/b10-7+