1-[(3-chloranyl-4-methyl-phenyl)methyl]-5-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)methyl]-5-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[(3-chloro-4-methyl-phenyl)methyl]-5-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid CAS Name: 1-[(3-chloro-4-methylphenyl)methyl]-5-(3,4-dichlorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3-chloro-4-methylphenyl)methyl]-5-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(3-chloro-4-methyl-benzyl)-5-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid Formula: C18H13Cl3N2O2 MolecularWeight: 395.66702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=CC(=N2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=CC(=N2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C18H13Cl3N2O2/c1-10-2-3-11(6-14(10)20)9-23-17(8-16(22-23)18(24)25)12-4-5-13(19)15(21)7-12/h2-8H,9H2,1H3,(H,24,25)