1-[[5-chloranyl-2-(2,4-dichlorophenyl)-1-benzofuran-7-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-chloranyl-2-(2,4-dichlorophenyl)-1-benzofuran-7-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-chloro-2-(2,4-dichlorophenyl)benzofuran-7-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-chloro-2-(2,4-dichlorophenyl)-7-benzofuranyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[[5-chloro-2-(2,4-dichlorophenyl)benzofuran-7-yl]methyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C20H13Cl3N2O3 MolecularWeight: 435.68782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H13Cl3N2O3/c1-10-4-17(20(26)27)24-25(10)9-12-6-14(22)5-11-7-18(28-19(11)12)15-3-2-13(21)8-16(15)23/h2-8H,9H2,1H3,(H,26,27)