1-cyanoethyl 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: 1-cyanoethyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: 1-cyanoethyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid 1-cyanoethyl ester Formula: C12H12BrNO4 MolecularWeight: 314.13198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C(=C1)OC)Br)OC

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=C(C(=C1)OC)Br)OC

InChI

InChI=1S/C12H12BrNO4/c1-7(6-14)18-12(15)8-4-9(16-2)11(13)10(5-8)17-3/h4-5,7H,1-3H3