(E)-2-pyrazol-1-ylnon-5-enoic acid

Systemtic Name: (E)-2-pyrazol-1-ylnon-5-enoic acid Openeye Name: (E)-2-pyrazol-1-ylnon-5-enoic acid CAS Name: (E)-2-(1-pyrazolyl)-5-nonenoic acid IUPAC Name: (E)-2-pyrazol-1-ylnon-5-enoic acid Traditional Name: (E)-2-pyrazol-1-ylnon-5-enoic acid Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCC(C(=O)O)N1C=CC=N1

Isomeric SMILES

CCC/C=C/CCC(C(=O)O)N1C=CC=N1

InChI

InChI=1S/C12H18N2O2/c1-2-3-4-5-6-8-11(12(15)16)14-10-7-9-13-14/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,15,16)/b5-4+