5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Formula: C18H12Cl2N2O4 MolecularWeight: 391.20488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H12Cl2N2O4/c1-9-16(18(23)24)21-22(13-4-3-11(19)7-12(13)20)17(9)10-2-5-14-15(6-10)26-8-25-14/h2-7H,8H2,1H3,(H,23,24)