3-(3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoyloxymethyl 2,2-dimethylpropanoate hydrochloride

Systemtic Name: 3-(3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoyloxymethyl 2,2-dimethylpropanoate hydrochloride Openeye Name: 3-(3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoyloxymethyl 2,2-dimethylpropanoate hydrochloride CAS Name: 2,2-dimethylpropanoic acid [1-oxo-3-(3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propoxy]methyl ester hydrochloride IUPAC Name: 3-(3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoyloxymethyl 2,2-dimethylpropanoate hydrochloride Traditional Name: 2,2-dimethylpropionic acid 3-(3-keto-4-phenyl-1,2,4-triazolidin-1-yl)propanoyloxymethyl ester hydrochloride Formula: C17H24ClN3O5 MolecularWeight: 385.84256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CCN1CN(C(=O)N1)C2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CCN1CN(C(=O)N1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C17H23N3O5.ClH/c1-17(2,3)15(22)25-12-24-14(21)9-10-19-11-20(16(23)18-19)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3,(H,18,23);1H