2-(5-chloranyl-2-oxidanyl-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-hydroxyphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C18H8ClN3O7 MolecularWeight: 413.72502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)O

InChI

InChI=1S/C18H8ClN3O7/c19-8-1-6-14(23)13(7-8)20-17(24)9-2-4-11(21(26)27)16-12(22(28)29)5-3-10(15(9)16)18(20)25/h1-7,23H