5-chloranyl-1-(3-cyanophenyl)-3-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(3-cyanophenyl)-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-cyanophenyl)-3-methyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-cyanophenyl)-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-cyanophenyl)-3-methylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-cyanophenyl)-3-methyl-pyrazole-4-carboxylic acid Formula: C12H8ClN3O2 MolecularWeight: 261.66382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3O2/c1-7-10(12(17)18)11(13)16(15-7)9-4-2-3-8(5-9)6-14/h2-5H,1H3,(H,17,18)