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

Systemtic Name: 1-(3-cyano-4-octoxy-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyano-4-octoxy-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-cyano-4-octoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyano-4-octoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyano-4-octoxy-phenyl)pyrazole-4-carboxylic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

InChI

InChI=1S/C19H23N3O3/c1-2-3-4-5-6-7-10-25-18-9-8-17(11-15(18)12-20)22-14-16(13-21-22)19(23)24/h8-9,11,13-14H,2-7,10H2,1H3,(H,23,24)