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

Systemtic Name: 3-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 3-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 3-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C19H9N3O8 MolecularWeight: 407.29006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H9N3O8/c23-17-11-4-6-13(21(27)28)16-14(22(29)30)7-5-12(15(11)16)18(24)20(17)10-3-1-2-9(8-10)19(25)26/h1-8H,(H,25,26)