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N-(2-(4-(3-Nitrobenzoyl)piperazin-1-yl)-5-bromophenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID HTtnV2musXV
InChI InChI=1S/C33H26BrN5O5/c34-24-13-14-29(37-15-17-38(18-16-37)33(41)23-8-6-11-26(19-23)39(42)43)28(21-24)36-31(40)27-20-22-7-4-5-12-30(22)44-32(27)35-25-9-2-1-3-10-25/h1-14,19-21H,15-18H2,(H,36,40)/b35-32-
InChIKey YUAPDQNIVYYBPE-JCUPVDEDSA-N
Mol Weight 652.5 g/mol
Molecular Formula C33H26BrN5O5
Exact Mass 651.111732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjEblfIhyUT
Name N-(2-(4-(3-Nitrobenzoyl)piperazin-1-yl)-5-bromophenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Alternate Name(s) (Z)-N-(5-bromo-2-(4-(3-nitrobenzoyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H26BrN5O5
InChI InChI=1S/C33H26BrN5O5/c34-24-13-14-29(37-15-17-38(18-16-37)33(41)23-8-6-11-26(19-23)39(42)43)28(21-24)36-31(40)27-20-22-7-4-5-12-30(22)44-32(27)35-25-9-2-1-3-10-25/h1-14,19-21H,15-18H2,(H,36,40)/b35-32-
InChIKey YUAPDQNIVYYBPE-JCUPVDEDSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 652.505 g/mol
SMILES N(C(C1=Cc2c(O\C1=N\c1ccccc1)cccc2)=O)c1cc(Br)ccc1N1CCN(CC1)C(c1cccc(c1)[N+](=O)[O-])=O
SPLASH splash10-00ds-0190006000-f5645f7f9a3c4aba3c35
Source of Spectrum G2-21-2411-9l
Wiley ID 1754134