propan-2-yl 2-(3-chloranyl-5-oxidanylidene-1H-1,2,4-triazol-2-yl)butanoate

Systemtic Name: propan-2-yl 2-(3-chloranyl-5-oxidanylidene-1H-1,2,4-triazol-2-yl)butanoate Openeye Name: isopropyl 2-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)butanoate CAS Name: 2-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-chloro-5-oxo-1H-1,2,4-triazol-2-yl)butanoate Traditional Name: 2-(3-chloro-5-keto-1H-1,2,4-triazol-2-yl)butyric acid isopropyl ester Formula: C9H14ClN3O3 MolecularWeight: 247.67876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C)N1C(=NC(=O)N1)Cl

Isomeric SMILES

CCC(C(=O)OC(C)C)N1C(=NC(=O)N1)Cl

InChI

InChI=1S/C9H14ClN3O3/c1-4-6(7(14)16-5(2)3)13-8(10)11-9(15)12-13/h5-6H,4H2,1-3H3,(H,12,15)