5-chloranyl-1-methyl-3-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-methyl-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-methyl-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-methyl-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-methyl-3-phenylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-methyl-3-phenyl-pyrazole-4-carboxylic acid Formula: C11H9ClN2O2 MolecularWeight: 236.65436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl

InChI

InChI=1S/C11H9ClN2O2/c1-14-10(12)8(11(15)16)9(13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,16)