2-chloranyl-4-fluoranyl-5-(5-methyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-(5-methyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)benzoic acid Openeye Name: 2-chloro-4-fluoro-5-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzoic acid CAS Name: 2-chloro-4-fluoro-5-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzoic acid Traditional Name: 2-chloro-4-fluoro-5-(3-keto-5-methyl-1H-1,2,4-triazol-2-yl)benzoic acid Formula: C10H7ClFN3O3 MolecularWeight: 271.632283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

CC1=NC(=O)N(N1)C2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C10H7ClFN3O3/c1-4-13-10(18)15(14-4)8-2-5(9(16)17)6(11)3-7(8)12/h2-3H,1H3,(H,16,17)(H,13,14,18)