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

Systemtic Name: 2-(2-methylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6,7-dinitro-2-(o-tolyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-methylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-methylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6,7-dinitro-2-(o-tolyl)benzo[de]isoquinoline-1,3-quinone Formula: C19H11N3O6 MolecularWeight: 377.30714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

InChI

InChI=1S/C19H11N3O6/c1-10-4-2-3-5-13(10)20-18(23)11-6-8-14(21(25)26)17-15(22(27)28)9-7-12(16(11)17)19(20)24/h2-9H,1H3