6,7-dinitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6,7-dinitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6,7-dinitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 6,7-dinitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6,7-dinitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6,7-dinitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-quinone Formula: C14H6N6O6 MolecularWeight: 354.23404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)N4C=NN=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)N4C=NN=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H6N6O6/c21-13-7-1-3-9(19(23)24)12-10(20(25)26)4-2-8(11(7)12)14(22)18(13)17-5-15-16-6-17/h1-6H