ethyl 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylate CAS Name: 1-(4-butoxy-3-cyanophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-butoxy-3-cyanophenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)OCC)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)OCC)C#N

InChI

InChI=1S/C17H19N3O3/c1-3-5-8-23-16-7-6-15(9-13(16)10-18)20-12-14(11-19-20)17(21)22-4-2/h6-7,9,11-12H,3-5,8H2,1-2H3