1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-butoxy-3-cyanophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-butoxy-3-cyanophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-butoxy-3-cyano-phenyl)pyrazole-4-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-2-3-6-21-14-5-4-13(7-11(14)8-16)18-10-12(9-17-18)15(19)20/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,20)