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1H-indole-3-carboxylic acid, 1-[3-[(2-chloro-4-nitrophenyl)amino]propyl]-5-hydroxy-2-methyl-, ethyl ester
SpectraBase Compound ID 9OgxjFl2sHk
InChI InChI=1S/C21H22ClN3O5/c1-3-30-21(27)20-13(2)24(19-8-6-15(26)12-16(19)20)10-4-9-23-18-7-5-14(25(28)29)11-17(18)22/h5-8,11-12,23,26H,3-4,9-10H2,1-2H3
InChIKey PGAXNYGVJCDMOB-UHFFFAOYSA-N
Mol Weight 431.88 g/mol
Molecular Formula C21H22ClN3O5
Exact Mass 431.124799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeTrzag3J1E
Name 1-[3-(2-chloro-4-nitro-anilino)propyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester
Alternate Name(s) 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester Ethyl 1-[3-(2-chloro-4-nitro-anilino)propyl]-5-hydroxy-2-methyl-indole-3-carboxylate Ethyl 1-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-methyl-5-oxidanyl-indole-3-carboxylate
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Formula C21H22ClN3O5
InChI InChI=1S/C21H22ClN3O5/c1-3-30-21(27)20-13(2)24(19-8-6-15(26)12-16(19)20)10-4-9-23-18-7-5-14(25(28)29)11-17(18)22/h5-8,11-12,23,26H,3-4,9-10H2,1-2H3
InChIKey PGAXNYGVJCDMOB-UHFFFAOYSA-N
Molecular Weight 431.876 g/mol
SMILES N(c1c(cc(N(=O)=O)cc1)Cl)CCC[n]1c(c(c2cc(ccc12)O)C(=O)OCC)C
SPLASH splash10-03e9-4920100000-0ae1e36bd293fea23623
Wiley ID 1463499