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7-Chloro-2,3-dihydro-3-(4-nitrobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one

View entire compound with spectra: 1 MS (GC)

7-Chloro-2,3-dihydro-3-(4-nitrobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID H0nDWRCXjOS
InChI InChI=1S/C22H14ClN3O3/c23-16-8-11-19-18(13-16)21(15-4-2-1-3-5-15)24-20(22(27)25-19)12-14-6-9-17(10-7-14)26(28)29/h1-13H,(H,25,27)/b20-12+
InChIKey NYJHUOQGLILQOF-UDWIEESQSA-N
Mol Weight 403.83 g/mol
Molecular Formula C22H14ClN3O3
Exact Mass 403.072369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B46sZcKHSr2
Name 7-Chloro-2,3-dihydro-3-(4-nitrobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-7-Chloro-3-(4-nitrobenzylidene)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 55056-33-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClN3O3
InChI InChI=1S/C22H14ClN3O3/c23-16-8-11-19-18(13-16)21(15-4-2-1-3-5-15)24-20(22(27)25-19)12-14-6-9-17(10-7-14)26(28)29/h1-13H,(H,25,27)/b20-12+
InChIKey NYJHUOQGLILQOF-UDWIEESQSA-N
Molecular Weight 403.825 g/mol
SMILES N1C(\C(N=C(c2c1ccc(c2)Cl)c1ccccc1)=C/c1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-0udi-0223900000-de5ff50e3a0c6a0c0471
Source of Spectrum W5-1989-36706-28830
Wiley ID 1370864