4-chloranyl-3-[2-(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)ethoxy]-2-methyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)ethoxy]-2-methyl-benzoic acid Openeye Name: 4-chloro-3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-benzoic acid CAS Name: 4-chloro-3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methylbenzoic acid IUPAC Name: 4-chloro-3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methylbenzoic acid Traditional Name: 4-chloro-3-[2-(5-keto-3,4-dimethyl-1,2,4-triazol-1-yl)ethoxy]-2-methyl-benzoic acid Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCCN2C(=O)N(C(=N2)C)C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1OCCN2C(=O)N(C(=N2)C)C)Cl)C(=O)O

InChI

InChI=1S/C14H16ClN3O4/c1-8-10(13(19)20)4-5-11(15)12(8)22-7-6-18-14(21)17(3)9(2)16-18/h4-5H,6-7H2,1-3H3,(H,19,20)