5-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-hydroxy-benzoic acid CAS Name: 5-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-hydroxybenzoic acid IUPAC Name: 5-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-hydroxybenzoic acid Traditional Name: 5-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)-2-hydroxy-benzoic acid Formula: C19H9N3O9 MolecularWeight: 423.28946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C(=O)O)O

InChI

InChI=1S/C19H9N3O9/c23-14-6-1-8(7-11(14)19(26)27)20-17(24)9-2-4-12(21(28)29)16-13(22(30)31)5-3-10(15(9)16)18(20)25/h1-7,23H,(H,26,27)