5-chloranyl-1-phenyl-3-propyl-pyrazole-4-carboxylate

Systemtic Name: 5-chloranyl-1-phenyl-3-propyl-pyrazole-4-carboxylate Openeye Name: 5-chloro-1-phenyl-3-propyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-phenyl-3-propyl-4-pyrazolecarboxylate IUPAC Name: 5-chloro-1-phenyl-3-propylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-phenyl-3-propyl-pyrazole-4-carboxylate Formula: C13H12ClN2O2- MolecularWeight: 263.69958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)[O-])Cl)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)[O-])Cl)C2=CC=CC=C2

InChI

InChI=1S/C13H13ClN2O2/c1-2-6-10-11(13(17)18)12(14)16(15-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,17,18)/p-1