2-(2,6-dioxopiperidin-3-yl)-5-nitro-1H-benzo-[de]isoquinoline-1,3(2H)-dione

SpectraBase Compound ID	HyToOAVXeYv
InChI	InChI=1S/C17H11N3O6/c21-13-5-4-12(15(22)18-13)19-16(23)10-3-1-2-8-6-9(20(25)26)7-11(14(8)10)17(19)24/h1-3,6-7,12H,4-5H2,(H,18,21,22)
InChIKey	HOOZLOYFWZBRPS-UHFFFAOYSA-N Google Search
Mol Weight	353.29 g/mol
Molecular Formula	C17H11N3O6
Exact Mass	353.064785 g/mol

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SpectraBase Spectrum ID	Hk6jv4kXTeq
Name	2-(2,6-Dioxopiperidin-3-yl)-5-nitro-1H-benzo-[de]isoquinoline-1,3(2H)-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	353.064785080 u
Formula	C17H11N3O6
InChI	InChI=1S/C17H11N3O6/c21-13-5-4-12(15(22)18-13)19-16(23)10-3-1-2-8-6-9(20(25)26)7-11(14(8)10)17(19)24/h1-3,6-7,12H,4-5H2,(H,18,21,22)
InChIKey	HOOZLOYFWZBRPS-UHFFFAOYSA-N
Molecular Weight	353.290 g/mol
SMILES	C1(N(C(C=2C=3C(=CC(=CC13)N(=O)=O)C=CC2)=O)C1C(NC(CC1)=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.847503