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3-[7-Bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylamino]-benzoic acid, methyl ester
SpectraBase Compound ID 3Acq6SglDWp
InChI InChI=1S/C23H17BrClN3O3/c1-31-23(30)13-5-4-6-15(11-13)26-21-22(29)27-19-10-9-14(24)12-17(19)20(28-21)16-7-2-3-8-18(16)25/h2-12,21,26H,1H3,(H,27,29)
InChIKey LOTNTNYDVYTBBB-UHFFFAOYSA-N
Mol Weight 498.76 g/mol
Molecular Formula C23H17BrClN3O3
Exact Mass 497.014182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fTFIxDBa6o
Name 3-[7-Bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylamino]-benzoic acid, methyl ester
Alternate Name(s) 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid methyl ester Methyl 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate Methyl 3-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate
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Formula C23H17BrClN3O3
InChI InChI=1S/C23H17BrClN3O3/c1-31-23(30)13-5-4-6-15(11-13)26-21-22(29)27-19-10-9-14(24)12-17(19)20(28-21)16-7-2-3-8-18(16)25/h2-12,21,26H,1H3,(H,27,29)
InChIKey LOTNTNYDVYTBBB-UHFFFAOYSA-N
Molecular Weight 498.764 g/mol
SMILES N(c1cccc(c1)C(OC)=O)C1N=C(c2cc(ccc2NC1=O)Br)c1ccccc1Cl
SPLASH splash10-0072-2519500000-d7c54ceb810e79b0b8b4
Source of Spectrum NP-15-7003-0
Wiley ID 1112754