3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoic acid Openeye Name: 3-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanoic acid CAS Name: 3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propanoic acid IUPAC Name: 3-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)propionic acid Formula: C15H9N3O8 MolecularWeight: 359.24726

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O8/c19-12(20)1-2-16-14(21)10-5-8(17(23)24)3-7-4-9(18(25)26)6-11(13(7)10)15(16)22/h3-6H,1-2H2,(H,19,20)