cyanomethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: cyanomethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: cyanomethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid cyanomethyl ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC#N

InChI

InChI=1S/C13H12BrNO4/c1-18-12-4-2-9(14)8-10(12)11(16)3-5-13(17)19-7-6-15/h2,4,8H,3,5,7H2,1H3