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(4S)-5-Acetyl-8-chloro-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
SpectraBase Compound ID BAN0Cpw1Zd7
InChI InChI=1S/C17H14ClN3O4/c1-10(22)20-15-7-4-12(18)8-14(15)19-17(23)9-16(20)11-2-5-13(6-3-11)21(24)25/h2-8,16H,9H2,1H3,(H,19,23)/t16-/m0/s1
InChIKey QARRWHOXAZLJQA-INIZCTEOSA-N
Mol Weight 359.77 g/mol
Molecular Formula C17H14ClN3O4
Exact Mass 359.067284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28zXMkVjdVq
Name (4S)-5-Acetyl-8-chloro-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClN3O4
InChI InChI=1S/C17H14ClN3O4/c1-10(22)20-15-7-4-12(18)8-14(15)19-17(23)9-16(20)11-2-5-13(6-3-11)21(24)25/h2-8,16H,9H2,1H3,(H,19,23)/t16-/m0/s1
InChIKey QARRWHOXAZLJQA-INIZCTEOSA-N
Molecular Weight 359.769 g/mol
SMILES N1c2cc(ccc2N([C@@](CC1=O)(c1ccc(cc1)[N+](=O)[O-])[H])C(=O)C)Cl
SPLASH splash10-0udi-5922000000-d6c2500eb09ad90c7fde
Source of Spectrum ASC-352-2629/SM6-5g
Synonyms (S)-5-acetyl-8-chloro-4-(4-nitrophenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Wiley ID 1764015