[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-[4-(diethylamino)phenyl]prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO3/c1-3-23(4-2)19-12-5-16(6-13-19)7-14-21(25)26-15-20(24)17-8-10-18(22)11-9-17/h5-14H,3-4,15H2,1-2H3/b14-7+