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

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid IUPAC Name: 4-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)butyric acid Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c19-13(20)5-2-6-17-15(21)11-4-1-3-9-7-10(18(23)24)8-12(14(9)11)16(17)22/h1,3-4,7-8H,2,5-6H2,(H,19,20)