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

Systemtic Name: 5-chloranyl-1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-cyano-4-neopentyloxy-phenyl)pyrazole-4-carboxylic acid Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3/c1-16(2,3)9-23-13-5-4-11(6-10(13)7-18)20-14(17)12(8-19-20)15(21)22/h4-6,8H,9H2,1-3H3,(H,21,22)