[3-(2,2-dicyanoethenyl)phenyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [3-(2,2-dicyanoethenyl)phenyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [3-(2,2-dicyanovinyl)phenyl] 4-bromo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-methyl-3-pyrazolecarboxylic acid [3-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [3-(2,2-dicyanoethenyl)phenyl] 4-bromo-1-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-methyl-pyrazole-3-carboxylic acid [3-(2,2-dicyanovinyl)phenyl] ester Formula: C15H9BrN4O2 MolecularWeight: 357.16156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C#N)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C#N)Br

InChI

InChI=1S/C15H9BrN4O2/c1-20-9-13(16)14(19-20)15(21)22-12-4-2-3-10(6-12)5-11(7-17)8-18/h2-6,9H,1H3