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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C19H10N2O6 MolecularWeight: 362.2925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H10N2O6/c22-17-13-6-3-4-10-8-11(21(26)27)9-14(16(10)13)18(23)20(17)15-7-2-1-5-12(15)19(24)25/h1-9H,(H,24,25)