methyl 5-(2,2-dicyanoethenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-(2,2-dicyanoethenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 5-(2,2-dicyanovinyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(2,2-dicyanoethenyl)-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dicyanoethenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(2,2-dicyanovinyl)-1-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C15H10N4O2 MolecularWeight: 278.2655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C=C(C#N)C#N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C=C(C#N)C#N

InChI

InChI=1S/C15H10N4O2/c1-21-15(20)13-10-18-19(12-5-3-2-4-6-12)14(13)7-11(8-16)9-17/h2-7,10H,1H3