[4-(4-bromophenyl)-4-oxidanylidene-butyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C20H16BrNO3 MolecularWeight: 398.24994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCCCC(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C20H16BrNO3/c21-18-10-8-17(9-11-18)19(23)2-1-13-25-20(24)12-7-15-3-5-16(14-22)6-4-15/h3-12H,1-2,13H2/b12-7+