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N-[4-[(6-keto-9-nitro-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide
SpectraBase Compound ID 9UmjjiWA2TL
InChI InChI=1S/C21H15N3O6/c1-12(25)22-13-6-8-15(9-7-13)29-18-10-14(24(27)28)11-19-20(18)21(26)23-16-4-2-3-5-17(16)30-19/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKey ZUJGMAISUQUDCR-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 FmhDnE9F08e
Name N-[4-[(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)22-13-6-8-15(9-7-13)29-18-10-14(24(27)28)11-19-20(18)21(26)23-16-4-2-3-5-17(16)30-19/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKey ZUJGMAISUQUDCR-UHFFFAOYSA-N
Molecular Weight 405.366 g/mol
SMILES N1c2c(Oc3c(c(Oc4ccc(NC(=O)C)cc4)cc(c3)N(=O)=O)C1=O)cccc2
SPLASH splash10-0006-9300000000-287df5ea59e78c4e0a34
Synonyms N-[4-[(9-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]ethanamide N-[4-[(9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]phenyl]acetamide
Wiley ID 1457936