4-(5-chloranyl-4-methanoyl-3-methyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(5-chloranyl-4-methanoyl-3-methyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-(5-chloro-4-formyl-3-methyl-pyrazol-1-yl)benzoic acid CAS Name: 4-(5-chloro-4-formyl-3-methyl-1-pyrazolyl)benzoic acid IUPAC Name: 4-(5-chloro-4-formyl-3-methylpyrazol-1-yl)benzoic acid Traditional Name: 4-(5-chloro-4-formyl-3-methyl-pyrazol-1-yl)benzoic acid Formula: C12H9ClN2O3 MolecularWeight: 264.66446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)Cl)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN(C(=C1C=O)Cl)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H9ClN2O3/c1-7-10(6-16)11(13)15(14-7)9-4-2-8(3-5-9)12(17)18/h2-6H,1H3,(H,17,18)