2-(2,4-dimethyl-6-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethyl-6-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethyl-6-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethyl-6-nitrophenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethyl-6-nitrophenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethyl-6-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H12N4O8 MolecularWeight: 436.33128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C

InChI

InChI=1S/C20H12N4O8/c1-9-7-10(2)18(15(8-9)24(31)32)21-19(25)11-3-5-13(22(27)28)17-14(23(29)30)6-4-12(16(11)17)20(21)26/h3-8H,1-2H3