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

Systemtic Name: 1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate Openeye Name: 1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylate CAS Name: 1-[3-cyano-4-(2-methylpropoxy)phenyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate Traditional Name: 1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylate Formula: C15H14N3O3- MolecularWeight: 284.28996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-10(2)9-21-14-4-3-13(5-11(14)6-16)18-8-12(7-17-18)15(19)20/h3-5,7-8,10H,9H2,1-2H3,(H,19,20)/p-1