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

Systemtic Name: 6-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]hexanoic acid Openeye Name: 6-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)hexanoic acid CAS Name: 6-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)hexanoic acid IUPAC Name: 6-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid Traditional Name: 6-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)hexanoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c21-15(22)7-2-1-3-8-19-17(23)13-6-4-5-11-9-12(20(25)26)10-14(16(11)13)18(19)24/h4-6,9-10H,1-3,7-8H2,(H,21,22)