4-(4-cyanobutoxy)-1-phenyl-pyrazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCCCCC#N

InChI

InChI=1S/C15H15N3O3/c16-9-5-2-6-10-21-13-11-18(17-14(13)15(19)20)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,10H2,(H,19,20)