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11-(3-Ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID C1dNFNtcUui
InChI InChI=1S/C28H27N3O6/c1-3-37-25-15-18(13-23(28(25)33)31(34)35)27-26-22(29-20-6-4-5-7-21(20)30-27)12-17(14-24(26)32)16-8-10-19(36-2)11-9-16/h4-11,13,15,17,27,29-30,33H,3,12,14H2,1-2H3
InChIKey CSSITDPKQNXPQD-UHFFFAOYSA-N
Mol Weight 501.54 g/mol
Molecular Formula C28H27N3O6
Exact Mass 501.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YWea32B6mx
Name 11-(3-Ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C28H27N3O6
InChI InChI=1S/C28H27N3O6/c1-3-37-25-15-18(13-23(28(25)33)31(34)35)27-26-22(29-20-6-4-5-7-21(20)30-27)12-17(14-24(26)32)16-8-10-19(36-2)11-9-16/h4-11,13,15,17,27,29-30,33H,3,12,14H2,1-2H3
InChIKey CSSITDPKQNXPQD-UHFFFAOYSA-N
Molecular Weight 501.539 g/mol
SMILES N1c2ccccc2NC(c2cc(c(c(c2)N(=O)=O)O)OCC)C2=C1CC(CC2=O)c1ccc(cc1)OC
SPLASH splash10-0a4i-5911000000-fe4c4feb80335ee2f8b8
Synonyms 6-(3-Ethoxy-4-hydroxy-5-nitro-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-Ethoxy-5-nitro-4-oxidanyl-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1454560