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5-Acetyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID 7eSzAct8fvf
InChI InChI=1S/C11H11N3O4/c1-7(15)13-5-4-11(16)12-9-3-2-8(14(17)18)6-10(9)13/h2-3,6H,4-5H2,1H3,(H,12,16)
InChIKey QCAZREKATBDQDX-UHFFFAOYSA-N
Mol Weight 249.23 g/mol
Molecular Formula C11H11N3O4
Exact Mass 249.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUsSdvCfuL3
Name 5-Acetyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CAS Registry Number 312530-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4
InChI InChI=1S/C11H11N3O4/c1-7(15)13-5-4-11(16)12-9-3-2-8(14(17)18)6-10(9)13/h2-3,6H,4-5H2,1H3,(H,12,16)
InChIKey QCAZREKATBDQDX-UHFFFAOYSA-N
Molecular Weight 249.226 g/mol
SMILES N1C(CCN(c2c1ccc(c2)N(=O)=O)C(=O)C)=O
SPLASH splash10-0a4l-9850000000-742aa618ec5fb4a392c5
Source of Spectrum AD-0-2532-0
Synonyms 1H-Benzo[b][1,4]-diazepin-2(3H)-one, 4,5-dihydro-5-acetyl-7-nitro- 5-Acetyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one 5-Ethanoyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Wiley ID 1428158