2-(3-ethyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(3-ethyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3-ethyl-5-keto-1H-1,2,4-triazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=O)N1N2C(=O)C3CCCCC3C2=O

Isomeric SMILES

CCC1=NNC(=O)N1N2C(=O)C3CCCCC3C2=O

InChI

InChI=1S/C12H16N4O3/c1-2-9-13-14-12(19)15(9)16-10(17)7-5-3-4-6-8(7)11(16)18/h7-8H,2-6H2,1H3,(H,14,19)