5-nitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-nitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5-nitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-nitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-nitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5-nitro-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-quinone Formula: C14H7N5O4 MolecularWeight: 309.23648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)N4C=NN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)N4C=NN=C4)[N+](=O)[O-]

InChI

InChI=1S/C14H7N5O4/c20-13-10-3-1-2-8-4-9(19(22)23)5-11(12(8)10)14(21)18(13)17-6-15-16-7-17/h1-7H