2,2-dimethylpropanoyloxymethyl 4-(3-oxidanylidene-4,5-dihydro-2H-1,2,4-triazin-6-yl)benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-(3-oxidanylidene-4,5-dihydro-2H-1,2,4-triazin-6-yl)benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-(3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)benzoate CAS Name: 4-(3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-(3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)benzoate Traditional Name: 4-(3-keto-4,5-dihydro-2H-1,2,4-triazin-6-yl)benzoic acid pivaloyloxymethyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)NC2

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)NC2

InChI

InChI=1S/C16H19N3O5/c1-16(2,3)14(21)24-9-23-13(20)11-6-4-10(5-7-11)12-8-17-15(22)19-18-12/h4-7H,8-9H2,1-3H3,(H2,17,19,22)