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

Systemtic Name: 3-[6-nitro-5-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-(5-hydroxy-6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 3-(5-hydroxy-6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 3-(5-hydroxy-6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(5-hydroxy-1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C19H10N2O7 MolecularWeight: 378.2919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O)C(=O)O

InChI

InChI=1S/C19H10N2O7/c22-14-8-13-15-11(16(14)21(27)28)5-2-6-12(15)17(23)20(18(13)24)10-4-1-3-9(7-10)19(25)26/h1-8,22H,(H,25,26)