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

Systemtic Name: 1-(3-cyano-4-hexoxy-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyano-4-hexoxy-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-cyano-4-hexoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyano-4-hexoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyano-4-hexoxy-phenyl)pyrazole-4-carboxylic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

InChI

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