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

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(3-chloranyl-4-methyl-phenyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-(3-chloro-4-methyl-phenyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(3-chloro-4-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(3-chloro-4-methyl-phenyl)pyrazole-4-carboxylic acid Formula: C15H16Cl2N2O2 MolecularWeight: 327.20574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16Cl2N2O2/c1-8-5-6-9(7-10(8)16)19-13(17)11(14(20)21)12(18-19)15(2,3)4/h5-7H,1-4H3,(H,20,21)