[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 2-methylbenzoate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H17BrO3 MolecularWeight: 421.28328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H17BrO3/c1-16-4-2-3-5-21(16)23(26)27-20-13-6-17(7-14-20)8-15-22(25)18-9-11-19(24)12-10-18/h2-15H,1H3/b15-8+