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

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-methylbenzoate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H19BrO4 MolecularWeight: 451.30926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrO4/c1-16-5-3-4-6-20(16)24(27)29-22-14-8-17(15-23(22)28-2)7-13-21(26)18-9-11-19(25)12-10-18/h3-15H,1-2H3/b13-7+