2-chloranyl-4-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid

Systemtic Name: 2-chloranyl-4-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid Openeye Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-2-chloro-benzoic acid CAS Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-2-chlorobenzoic acid IUPAC Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-2-chlorobenzoic acid Traditional Name: 4-(3-acetyl-5-keto-2-pyrazolin-1-yl)-2-chloro-benzoic acid Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4/c1-6(16)10-5-11(17)15(14-10)7-2-3-8(12(18)19)9(13)4-7/h2-4H,5H2,1H3,(H,18,19)