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

Systemtic Name: 3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 3-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(1,3-diketo-6-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(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(=O)O

InChI

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