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1H-Indole-2,3-dicarboxylic acid, 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]-, dimethyl ester
SpectraBase Compound ID HA59TE4AUz9
InChI InChI=1S/C22H20N4O9/c1-34-21(28)18-16-6-3-4-7-17(16)24(19(18)22(29)35-2)9-5-8-23-20(27)13-10-14(25(30)31)12-15(11-13)26(32)33/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,27)
InChIKey RPYNDUFRIRRTCT-UHFFFAOYSA-N
Mol Weight 484.42 g/mol
Molecular Formula C22H20N4O9
Exact Mass 484.123028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRSrem4RVdY
Name 1H-Indole-2,3-dicarboxylic acid, 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]-, dimethyl ester
CAS Registry Number 69924-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O9
InChI InChI=1S/C22H20N4O9/c1-34-21(28)18-16-6-3-4-7-17(16)24(19(18)22(29)35-2)9-5-8-23-20(27)13-10-14(25(30)31)12-15(11-13)26(32)33/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,27)
InChIKey RPYNDUFRIRRTCT-UHFFFAOYSA-N
Molecular Weight 484.421 g/mol
SMILES N(CCC[n]1c2ccccc2c(c1C(=O)OC)C(=O)OC)C(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O
SPLASH splash10-005a-2690400000-9a6f39ec988621dab80c
Source of Spectrum F-34-2935-0
Synonyms Dimethyl 1-(3-[(3,5-dinitrobenzoyl)amino]propyl)-1H-indole-2,3-dicarboxylate 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]indole-2,3-dicarboxylic acid dimethyl ester 1-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]propyl]indole-2,3-dicarboxylic acid dimethyl ester Dimethyl 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]indole-2,3-dicarboxylate Dimethyl 1-[3-[(3,5-dinitrophenyl)carbonylamino]propyl]indole-2,3-dicarboxylate
Wiley ID 1395938