5-[[4-(2-cyanophenyl)phenyl]methoxy]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[4-(2-cyanophenyl)phenyl]methoxy]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[[4-(2-cyanophenyl)phenyl]methoxy]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[[4-(2-cyanophenyl)phenyl]methoxy]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[[4-(2-cyanophenyl)phenyl]methoxy]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[4-(2-cyanophenyl)benzyl]oxy-1H-pyrazole-4-carboxylic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC3=C(C=NN3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC3=C(C=NN3)C(=O)O

InChI

InChI=1S/C18H13N3O3/c19-9-14-3-1-2-4-15(14)13-7-5-12(6-8-13)11-24-17-16(18(22)23)10-20-21-17/h1-8,10H,11H2,(H,20,21)(H,22,23)