5-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzene-1,3-dicarboxylate Openeye Name: 5-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzene-1,3-dicarboxylate CAS Name: 5-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzene-1,3-dicarboxylate IUPAC Name: 5-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)isophthalate Formula: C20H8N2O8-2 MolecularWeight: 404.28612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H10N2O8/c23-17-13-3-1-2-12-15(22(29)30)5-4-14(16(12)13)18(24)21(17)11-7-9(19(25)26)6-10(8-11)20(27)28/h1-8H,(H,25,26)(H,27,28)/p-2