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

Systemtic Name: 5-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-(6-bromo-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-hydroxy-benzoic acid CAS Name: 5-(6-bromo-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-hydroxybenzoic acid IUPAC Name: 5-(6-bromo-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-hydroxybenzoic acid Traditional Name: 5-(6-bromo-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-2-hydroxy-benzoic acid Formula: C19H9BrN2O7 MolecularWeight: 457.18796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2Br)[N+](=O)[O-])C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2Br)[N+](=O)[O-])C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C19H9BrN2O7/c20-16-9-2-1-3-10-15(9)12(7-13(16)22(28)29)18(25)21(17(10)24)8-4-5-14(23)11(6-8)19(26)27/h1-7,23H,(H,26,27)