ethyl 2-methyl-3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride

Systemtic Name: ethyl 2-methyl-3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride Openeye Name: ethyl 2-methyl-3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride CAS Name: 2-methyl-3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-methyl-3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride Traditional Name: 3-(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)-2-methyl-propionic acid ethyl ester hydrochloride Formula: C15H22ClN3O3 MolecularWeight: 327.80648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CN1C(N(C(=O)N1)C2=CC=CC=C2)C.Cl

Isomeric SMILES

CCOC(=O)C(C)CN1C(N(C(=O)N1)C2=CC=CC=C2)C.Cl

InChI

InChI=1S/C15H21N3O3.ClH/c1-4-21-14(19)11(2)10-17-12(3)18(15(20)16-17)13-8-6-5-7-9-13;/h5-9,11-12H,4,10H2,1-3H3,(H,16,20);1H