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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)O)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)O)C#N)Cl

InChI

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