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

Systemtic Name: 4-(4,5-dimethyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoate Openeye Name: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoate IUPAC Name: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoate Traditional Name: 4-(5-keto-3,4-dimethyl-3-pyrazolin-1-yl)benzoate Formula: C12H11N2O3- MolecularWeight: 231.22734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C12H12N2O3/c1-7-8(2)13-14(11(7)15)10-5-3-9(4-6-10)12(16)17/h3-6,13H,1-2H3,(H,16,17)/p-1