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Ethyl 3-[[N-[(2'-nitrophenyl)propargyl]amino]glyoxylyl]indole-2-acetate
SpectraBase Compound ID ArSVX6ENcx2
InChI InChI=1S/C23H19N3O6/c1-2-32-20(27)14-18-21(16-10-4-5-11-17(16)25-18)22(28)23(29)24-13-7-9-15-8-3-6-12-19(15)26(30)31/h3-6,8,10-12,25H,2,13-14H2,1H3,(H,24,29)
InChIKey MZSHHXZNSNPZAQ-UHFFFAOYSA-N
Mol Weight 433.42 g/mol
Molecular Formula C23H19N3O6
Exact Mass 433.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CS74nMLw4aY
Name Ethyl 3-[[N-[(2'-nitrophenyl)propargyl]amino]glyoxylyl]indole-2-acetate
CAS Registry Number 138956-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N3O6
InChI InChI=1S/C23H19N3O6/c1-2-32-20(27)14-18-21(16-10-4-5-11-17(16)25-18)22(28)23(29)24-13-7-9-15-8-3-6-12-19(15)26(30)31/h3-6,8,10-12,25H,2,13-14H2,1H3,(H,24,29)
InChIKey MZSHHXZNSNPZAQ-UHFFFAOYSA-N
Molecular Weight 433.420 g/mol
SMILES [nH]1c2c(c(C(C(=O)NCC#Cc3c(N(=O)=O)cccc3)=O)c1CC(=O)OCC)cccc2
SPLASH splash10-0f89-0954000000-c0d31bd4bd176b2677f3
Source of Spectrum J-57-2112-30
Synonyms Ethyl {3-[{[3-(2-nitrophenyl)-2-propynyl]amino}(oxo)acetyl]-1H-indol-2-yl}acetate
Wiley ID 1382656