2-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid

Systemtic Name: 2-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 2-(6-bromo-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 2-(6-bromo-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 2-(6-bromo-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 2-(6-bromo-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C19H9BrN2O6 MolecularWeight: 441.18856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O

InChI

InChI=1S/C19H9BrN2O6/c20-16-10-5-3-6-11-15(10)12(8-14(16)22(27)28)18(24)21(17(11)23)13-7-2-1-4-9(13)19(25)26/h1-8H,(H,25,26)