ethyl 2-[3-cyano-4-[(E)-2-phenylethenyl]phenyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[3-cyano-4-[(E)-2-phenylethenyl]phenyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[3-cyano-4-[(E)-styryl]phenyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 2-[3-cyano-4-[(E)-2-phenylethenyl]phenyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-[(E)-2-phenylethenyl]phenyl]-5-methylpyrazole-3-carboxylate Traditional Name: 2-[3-cyano-4-[(E)-styryl]phenyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)C=CC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)/C=C/C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C22H19N3O2/c1-3-27-22(26)21-13-16(2)24-25(21)20-12-11-18(19(14-20)15-23)10-9-17-7-5-4-6-8-17/h4-14H,3H2,1-2H3/b10-9+