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

Systemtic Name: 2-(2-methyl-4-oxidanyl-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-hydroxy-2-methyl-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-hydroxy-2-methylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-hydroxy-2-methylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-hydroxy-2-methyl-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C19H11N3O7 MolecularWeight: 393.30654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11N3O7/c1-9-8-10(23)2-5-13(9)20-18(24)11-3-6-14(21(26)27)17-15(22(28)29)7-4-12(16(11)17)19(20)25/h2-8,23H,1H3