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

Systemtic Name: 2-(4-methyl-2-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-methyl-2-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-methyl-2-nitrophenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-methyl-2-nitrophenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-methyl-2-nitro-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C19H10N4O8 MolecularWeight: 422.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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