4,5-dimethoxy-2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione

Systemtic Name: 4,5-dimethoxy-2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione Openeye Name: 4,5-dimethoxy-2-(1H-1,2,4-triazol-5-yl)isoindoline-1,3-dione CAS Name: 4,5-dimethoxy-2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione IUPAC Name: 4,5-dimethoxy-2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione Traditional Name: 4,5-dimethoxy-2-(1H-1,2,4-triazol-5-yl)isoindoline-1,3-quinone Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NC=NN3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NC=NN3)OC

InChI

InChI=1S/C12H10N4O4/c1-19-7-4-3-6-8(9(7)20-2)11(18)16(10(6)17)12-13-5-14-15-12/h3-5H,1-2H3,(H,13,14,15)