Chem
J-GLOBAL ID:200907002185955136
Nikkaji number:J2.470.206E
3-[(2R)-1-(4-Methylphenyl)-2-nitro-3-oxo-3-ethoxypropyl]-1H-indole-5-carboxylic acid methyl ester
3-[(2R)-1-(4-メチルフェニル)-2-ニトロ-3-オキソ-3-エトキシプロピル]-1H-インドール-5-カルボン酸メチル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H22 N[N+]O5 [O-]
Molecular formula furigana:
C22-H22-N2-O6
Molecular weight:
410.426
InChI:
InChI=1S/C22H22N2O6/c1-4-30-22(26)20(24(27)28)19(14-7-5-13(2)6-8-14)17-12-23-18-10-9-15(11-16(17)18)21(25)29-3/h5-12,19-20,23H,4H2,1-3H3/t19?,20-/m1/s1
InChI key:
AMXDRZHJZAHGEB-GFOWMXPYSA-N
SMILES:
CCOC(=O)[C@@H](C(c1c[nH]c2ccc(cc12)C(=O)OC)c1ccc(C)cc1)[N+](=O)[O-]
Systematic name (3):
3-[(2R)-1-(4-メチルフェニル)-2-ニトロ-3-オキソ-3-エトキシプロピル]-1H-インドール-5-カルボン酸メチル
メチル 3-[(2R)-3-エトキシ-1-(4-メチルフェニル)-2-ニトロ-3-オキソプロピル]-1H-インドール-5-カルボキシラート
methyl 3-[(2R)-3-ethoxy-1-(4-methylphenyl)-2-nitro-3-oxopropyl]-1H-indole-5-carboxylate
Other name (1):
3-[(2R)-1-(4-Methylphenyl)-2-nitro-3-oxo-3-ethoxypropyl]-1H-indole-5-carboxylic acid methyl ester
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