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

Systemtic Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylate Openeye Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylate CAS Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylate Traditional Name: 1-(3-cyano-4-neopentyloxy-phenyl)pyrazole-4-carboxylate Formula: C16H16N3O3- MolecularWeight: 298.31654

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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)/p-1