5-butyl-3-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6-dione

Systemtic Name: 5-butyl-3-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6-dione Openeye Name: 5-butyl-3-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione CAS Name: 5-butyl-3-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione IUPAC Name: 5-butyl-3-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione Traditional Name: 5-butyl-3-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-quinone Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H16N4O2/c1-2-3-9-17-13(19)11-12(14(17)20)18(16-15-11)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3