4-ethanoyl-3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylic acid

Systemtic Name: 4-ethanoyl-3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylic acid Openeye Name: 4-acetyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid CAS Name: 4-acetyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-acetyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid Traditional Name: 4-acetyl-5-keto-1-phenyl-3-pyrazoline-3-carboxylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H10N2O4/c1-7(15)9-10(12(17)18)13-14(11(9)16)8-5-3-2-4-6-8/h2-6,13H,1H3,(H,17,18)