2-(3-chloranyl-4-fluoranyl-phenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid CAS Name: 2-(3-chloro-4-fluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Formula: C18H12ClFN2O4 MolecularWeight: 374.750283

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=C3)C(=O)O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=C3)C(=O)O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H12ClFN2O4/c19-12-8-11(2-3-13(12)20)22-15(18(23)24)9-14(21-22)10-1-4-16-17(7-10)26-6-5-25-16/h1-4,7-9H,5-6H2,(H,23,24)