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

Systemtic Name: 5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(3-cyano-4-neopentyloxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-17(2,3)10-23-15-6-5-11(7-12(15)9-18)13-8-14(16(21)22)20(4)19-13/h5-8H,10H2,1-4H3,(H,21,22)