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7-Chloro-2,3-dihydro-3-(2-nitrobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 8ds4MjFPiV2
InChI InChI=1S/C22H14ClN3O3/c23-16-10-11-18-17(13-16)21(14-6-2-1-3-7-14)24-19(22(27)25-18)12-15-8-4-5-9-20(15)26(28)29/h1-13H,(H,25,27)/b19-12+
InChIKey JOGCLQJPCOAQSC-XDHOZWIPSA-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 Bv1FKYX04yu
Name 7-Chloro-2,3-dihydro-3-(2-nitrobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-7-chloro-3-(2-nitrobenzylidene)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 55056-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClN3O3
InChI InChI=1S/C22H14ClN3O3/c23-16-10-11-18-17(13-16)21(14-6-2-1-3-7-14)24-19(22(27)25-18)12-15-8-4-5-9-20(15)26(28)29/h1-13H,(H,25,27)/b19-12+
InChIKey JOGCLQJPCOAQSC-XDHOZWIPSA-N
Molecular Weight 403.825 g/mol
SMILES N1c2c(C(=N\C(C1=O)=C/c1c(N(=O)=O)cccc1)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0a4r-0094000000-227f15d22a759adeff1d
Source of Spectrum W5-1989-36705-28831
Wiley ID 1370863