[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO3/c1-3-16-6-5-7-17(4-2)21(16)23-19(24)14-26-20(25)13-10-15-8-11-18(22)12-9-15/h5-13H,3-4,14H2,1-2H3,(H,23,24)/b13-10+