4-(3-oxidanylidene-5-propyl-1H-pyrazol-2-yl)benzoate

Systemtic Name: 4-(3-oxidanylidene-5-propyl-1H-pyrazol-2-yl)benzoate Openeye Name: 4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzoate CAS Name: 4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzoate IUPAC Name: 4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzoate Traditional Name: 4-(5-keto-3-propyl-3-pyrazolin-1-yl)benzoate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-2-3-10-8-12(16)15(14-10)11-6-4-9(5-7-11)13(17)18/h4-8,14H,2-3H2,1H3,(H,17,18)/p-1