2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)ethyl 2-ethyl-3-oxidanylidene-butaneperoxoate

Systemtic Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)ethyl 2-ethyl-3-oxidanylidene-butaneperoxoate Openeye Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)ethyl 2-ethyl-3-oxo-butaneperoxoate CAS Name: 2-ethyl-3-oxobutaneperoxoic acid 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)ethyl ester IUPAC Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)ethyl 2-ethyl-3-oxobutaneperoxoate Traditional Name: 2-ethyl-3-keto-peroxybutyric acid 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)C(=O)OOCCN1C(=NN=C1C2=CC=CC=C2)C

Isomeric SMILES

CCC(C(=O)C)C(=O)OOCCN1C(=NN=C1C2=CC=CC=C2)C

InChI

InChI=1S/C17H21N3O4/c1-4-15(12(2)21)17(22)24-23-11-10-20-13(3)18-19-16(20)14-8-6-5-7-9-14/h5-9,15H,4,10-11H2,1-3H3