2-phenyl-4-pyrazol-1-yl-butanoate

Systemtic Name: 2-phenyl-4-pyrazol-1-yl-butanoate Openeye Name: 2-phenyl-4-pyrazol-1-yl-butanoate CAS Name: 2-phenyl-4-(1-pyrazolyl)butanoate IUPAC Name: 2-phenyl-4-pyrazol-1-ylbutanoate Traditional Name: 2-phenyl-4-pyrazol-1-yl-butyrate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN2C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCN2C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c16-13(17)12(11-5-2-1-3-6-11)7-10-15-9-4-8-14-15/h1-6,8-9,12H,7,10H2,(H,16,17)/p-1