1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyano-4-neopentyloxy-phenyl)pyrazole-4-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

InChI

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