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N-[3-[(6-keto-9-nitro-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide
SpectraBase Compound ID 6S64hjRjXbd
InChI InChI=1S/C21H15N3O6/c1-12(25)22-13-5-4-6-15(9-13)29-18-10-14(24(27)28)11-19-20(18)21(26)23-16-7-2-3-8-17(16)30-19/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKey GVKYTMYPEPFSLC-UHFFFAOYSA-N
Mol Weight 405.37 g/mol
Molecular Formula C21H15N3O6
Exact Mass 405.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg0OZVxP81F
Name N-[3-[(6-keto-9-nitro-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide
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Formula C21H15N3O6
InChI InChI=1S/C21H15N3O6/c1-12(25)22-13-5-4-6-15(9-13)29-18-10-14(24(27)28)11-19-20(18)21(26)23-16-7-2-3-8-17(16)30-19/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKey GVKYTMYPEPFSLC-UHFFFAOYSA-N
Molecular Weight 405.366 g/mol
SMILES N1c2c(Oc3c(c(Oc4cc(NC(=O)C)ccc4)cc(c3)N(=O)=O)C1=O)cccc2
SPLASH splash10-0006-9310000000-7b1bdf951b507a6fcde0
Synonyms N-[3-[(9-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]ethanamide N-[3-[(9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide
Wiley ID 1462932