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

Systemtic Name: ethyl 1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylate CAS Name: 1-[3-cyano-4-(2-methylpropoxy)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate Traditional Name: 1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=CC(=C(C=C2)OCC(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=CC(=C(C=C2)OCC(C)C)C#N

InChI

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