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Ethyl 3-[[N-(2'-nitrocinnamyl)amino]glyoxylyl]indole-2-acetate
SpectraBase Compound ID 97WiKoYej0J
InChI InChI=1S/C23H21N3O6/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/h3-12,25H,2,13-14H2,1H3,(H,24,29)/b9-7+
InChIKey KYISDDIFQRPTKO-VQHVLOKHSA-N
Mol Weight 435.44 g/mol
Molecular Formula C23H21N3O6
Exact Mass 435.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B07vFVEHYgz
Name Ethyl 3-[[N-(2'-nitrocinnamyl)amino]glyoxylyl]indole-2-acetate
Alternate Name(s) Ethyl {3-[{[(2E)-3-(2-nitrophenyl)-2-propenyl]amino}(oxo)acetyl]-1H-indol-2-yl}acetate
CAS Registry Number 138956-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O6
InChI InChI=1S/C23H21N3O6/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/h3-12,25H,2,13-14H2,1H3,(H,24,29)/b9-7+
InChIKey KYISDDIFQRPTKO-VQHVLOKHSA-N
Molecular Weight 435.436 g/mol
SMILES [nH]1c2c(c(C(C(=O)NC\C=C\c3c(N(=O)=O)cccc3)=O)c1CC(=O)OCC)cccc2
SPLASH splash10-001i-0590000000-df38099e2a5804f94052
Source of Spectrum J-57-2113-0
Wiley ID 1383241