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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CCC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)[O-])C

InChI

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