4-chloranyl-3-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazolidin-3-yl)methoxy]-2-fluoranyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[(3,4-dimethyl-5-oxidanylidene-1,2,4-triazolidin-3-yl)methoxy]-2-fluoranyl-benzoic acid Openeye Name: 4-chloro-3-[(3,4-dimethyl-5-oxo-1,2,4-triazolidin-3-yl)methoxy]-2-fluoro-benzoic acid CAS Name: 4-chloro-3-[(3,4-dimethyl-5-oxo-1,2,4-triazolidin-3-yl)methoxy]-2-fluorobenzoic acid IUPAC Name: 4-chloro-3-[(3,4-dimethyl-5-oxo-1,2,4-triazolidin-3-yl)methoxy]-2-fluorobenzoic acid Traditional Name: 4-chloro-2-fluoro-3-[(5-keto-3,4-dimethyl-1,2,4-triazolidin-3-yl)methoxy]benzoic acid Formula: C12H13ClFN3O4 MolecularWeight: 317.700723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NNC(=O)N1C)COC2=C(C=CC(=C2F)C(=O)O)Cl

Isomeric SMILES

CC1(NNC(=O)N1C)COC2=C(C=CC(=C2F)C(=O)O)Cl

InChI

InChI=1S/C12H13ClFN3O4/c1-12(16-15-11(20)17(12)2)5-21-9-7(13)4-3-6(8(9)14)10(18)19/h3-4,16H,5H2,1-2H3,(H,15,20)(H,18,19)