[3-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)phenyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [3-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)phenyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [3-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)phenyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [3-(2-cyano-3-methoxy-3-oxoprop-1-enyl)phenyl] ester IUPAC Name: [3-(2-cyano-3-methoxy-3-oxoprop-1-enyl)phenyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [3-(2-cyano-3-keto-3-methoxy-prop-1-enyl)phenyl] ester Formula: C21H18BrNO7 MolecularWeight: 476.27412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)Br)OC)OC

InChI

InChI=1S/C21H18BrNO7/c1-26-16-10-15(17(22)19(28-3)18(16)27-2)21(25)30-14-7-5-6-12(9-14)8-13(11-23)20(24)29-4/h5-10H,1-4H3