2-(2-methyl-4-nitro-phenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-methyl-4-nitro-phenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-methyl-4-nitro-phenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-methyl-4-nitrophenyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-methyl-4-nitrophenyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-methyl-4-nitro-phenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C19H10N4O8 MolecularWeight: 422.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H10N4O8/c1-9-4-11(21(26)27)2-3-16(9)20-18(24)14-7-12(22(28)29)5-10-6-13(23(30)31)8-15(17(10)14)19(20)25/h2-8H,1H3