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5-Amino-2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-oxopentanoic acid
SpectraBase Compound ID 6cUJIGXDOIa
InChI InChI=1S/C17H13N3O7/c18-13(21)5-4-12(17(24)25)19-15(22)10-3-1-2-8-6-9(20(26)27)7-11(14(8)10)16(19)23/h1-3,6-7,12H,4-5H2,(H2,18,21)(H,24,25)
InChIKey WGDHFVRKINOMFE-UHFFFAOYSA-N
Mol Weight 371.31 g/mol
Molecular Formula C17H13N3O7
Exact Mass 371.07535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GanpZY4GBcZ
Name 5-Amino-2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-oxopentanoic acid
Alternate Name(s) 5-Amino-2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-5-oxopentanoic acid 5-Amino-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-5-oxopentanoic acid 5-Amino-2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-5-oxo-pentanoic acid 5-Azanyl-2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-5-oxidanylidene-pentanoic acid
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Formula C17H13N3O7
InChI InChI=1S/C17H13N3O7/c18-13(21)5-4-12(17(24)25)19-15(22)10-3-1-2-8-6-9(20(26)27)7-11(14(8)10)16(19)23/h1-3,6-7,12H,4-5H2,(H2,18,21)(H,24,25)
InChIKey WGDHFVRKINOMFE-UHFFFAOYSA-N
Molecular Weight 371.305 g/mol
SMILES OC(C(CCC(=O)N)N1C(c2cc(N(=O)=O)cc3c2c(C1=O)ccc3)=O)=O
SPLASH splash10-03dl-0091000000-6bdebb9d2c62b94335e5
Source of Spectrum F2-44-3537-3b
Wiley ID 1705960