5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(3-cyano-4-isobutoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(3-cyano-4-isobutoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)C#N

InChI

InChI=1S/C16H17N3O3/c1-10(2)9-22-15-5-4-11(6-12(15)8-17)13-7-14(16(20)21)19(3)18-13/h4-7,10H,9H2,1-3H3,(H,20,21)