[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] pyridine-4-carboxylate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] pyridine-4-carboxylate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C18H9N3O6 MolecularWeight: 363.28056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)OC(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)OC(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H9N3O6/c22-16-13-3-1-2-11-8-12(21(25)26)9-14(15(11)13)17(23)20(16)27-18(24)10-4-6-19-7-5-10/h1-9H