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

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H15BrO5 MolecularWeight: 391.2127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H15BrO5/c1-22-16-10-12(7-9-17(20)23-2)6-8-15(16)24-18(21)13-4-3-5-14(19)11-13/h3-11H,1-2H3/b9-7+