4-[5-(4-chloranylphenoxy)-2,2-dimethyl-3-oxidanylidene-1,2,4-triazol-2-ium-1-yl]butanoic acid

Systemtic Name: 4-[5-(4-chloranylphenoxy)-2,2-dimethyl-3-oxidanylidene-1,2,4-triazol-2-ium-1-yl]butanoic acid Openeye Name: 4-[5-(4-chlorophenoxy)-2,2-dimethyl-3-oxo-1,2,4-triazol-2-ium-1-yl]butanoic acid CAS Name: 4-[5-(4-chlorophenoxy)-2,2-dimethyl-3-oxo-1,2,4-triazol-2-ium-1-yl]butanoic acid IUPAC Name: 4-[5-(4-chlorophenoxy)-2,2-dimethyl-3-oxo-1,2,4-triazol-2-ium-1-yl]butanoic acid Traditional Name: 4-[5-(4-chlorophenoxy)-3-keto-2,2-dimethyl-1,2,4-triazol-2-ium-1-yl]butyric acid Formula: C14H17ClN3O4+ MolecularWeight: 326.75548

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)N=C(N1CCCC(=O)O)OC2=CC=C(C=C2)Cl)C

Isomeric SMILES

C[N+]1(C(=O)N=C(N1CCCC(=O)O)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C14H16ClN3O4/c1-18(2)14(21)16-13(17(18)9-3-4-12(19)20)22-11-7-5-10(15)6-8-11/h5-8H,3-4,9H2,1-2H3/p+1