4-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid IUPAC Name: 4-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)butyric acid Formula: C16H11N3O8 MolecularWeight: 373.27384

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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)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O8/c20-13(21)2-1-3-17-15(22)11-6-9(18(24)25)4-8-5-10(19(26)27)7-12(14(8)11)16(17)23/h4-7H,1-3H2,(H,20,21)