4-[(E)-2-[3-bromanyl-5-methoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[3-bromanyl-5-methoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-[3-bromo-5-methoxy-4-(2-oxido-2-oxo-ethoxy)phenyl]-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-[3-bromo-5-methoxy-4-(2-oxido-2-oxoethoxy)phenyl]-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-[3-bromo-5-methoxy-4-(2-oxido-2-oxoethoxy)phenyl]-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-[3-bromo-4-(2-keto-2-oxido-ethoxy)-5-methoxy-phenyl]-1-cyano-vinyl]benzoate Formula: C19H12BrNO6-2 MolecularWeight: 430.20568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)[O-])Br)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)[O-])Br)OCC(=O)[O-]

InChI

InChI=1S/C19H14BrNO6/c1-26-16-8-11(7-15(20)18(16)27-10-17(22)23)6-14(9-21)12-2-4-13(5-3-12)19(24)25/h2-8H,10H2,1H3,(H,22,23)(H,24,25)/p-2/b14-6-