2-(5-oxidanylidene-3-propyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(5-oxidanylidene-3-propyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(5-oxo-3-propyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(5-oxo-3-propyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(5-oxo-3-propyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(5-keto-3-propyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=O)N1N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CCCC1=NNC(=O)N1N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C13H16N4O3/c1-2-5-10-14-15-13(20)16(10)17-11(18)8-6-3-4-7-9(8)12(17)19/h3-4,8-9H,2,5-7H2,1H3,(H,15,20)