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Methyl 3-(2-(2-nitrobenzylidene)-3-oxobutyl)-1H-indole-2-carboxylate
SpectraBase Compound ID cJbkfK0l2o
InChI InChI=1S/C21H18N2O5/c1-13(24)15(11-14-7-3-6-10-19(14)23(26)27)12-17-16-8-4-5-9-18(16)22-20(17)21(25)28-2/h3-11,22H,12H2,1-2H3/b15-11+
InChIKey NMIUJMDYTFINMY-RVDMUPIBSA-N
Mol Weight 378.38 g/mol
Molecular Formula C21H18N2O5
Exact Mass 378.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XMdTrAGBH4
Name Methyl 3-(2-(2-nitrobenzylidene)-3-oxobutyl)-1H-indole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O5
InChI InChI=1S/C21H18N2O5/c1-13(24)15(11-14-7-3-6-10-19(14)23(26)27)12-17-16-8-4-5-9-18(16)22-20(17)21(25)28-2/h3-11,22H,12H2,1-2H3/b15-11+
InChIKey NMIUJMDYTFINMY-RVDMUPIBSA-N
Literature Reference DOI 10.1021/jo301313m
Molecular Weight 378.384 g/mol
SMILES [nH]1c2c(c(c1C(=O)OC)C\C(=C/c1c(cccc1)[N+](=O)[O-])C(=O)C)cccc2
SPLASH splash10-002r-0945000000-38ada2ed8c693dbc7ae9
Source of Spectrum J-77-8459-3c
Synonyms (E)-methyl 3-(2-(2-nitrobenzylidene)-3-oxobutyl)-1H-indole-2-carboxylate 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutyl]-1H-indole-2-carboxylic acid methyl ester Methyl 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutyl]-1H-indole-2-carboxylate Methyl 3-[(2E)-2-[(2-nitrophenyl)methylene]-3-oxo-butyl]-1H-indole-2-carboxylate Methyl 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butyl]-1H-indole-2-carboxylate
Wiley ID 1747004