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CAS 914348-97-3

:

1,1-Dimethylethyl 3-formyl-7-nitro-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-formyl-7-nitro-1H-indole-1-carboxylate, identified by its CAS number 914348-97-3, is a chemical compound that features a complex structure typical of indole derivatives. This substance contains an indole ring, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring, contributing to its aromatic properties. The presence of a formyl group (-CHO) and a nitro group (-NO2) on the indole structure indicates potential reactivity and biological activity, making it of interest in medicinal chemistry and organic synthesis. The ester functional group (-COO-) in the carboxylate portion suggests that it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. Additionally, the presence of the tert-butyl group (1,1-dimethylethyl) may enhance the compound's lipophilicity and steric hindrance, influencing its interactions in biological systems. Overall, this compound's unique functional groups and structural features may contribute to its potential applications in pharmaceuticals or as a synthetic intermediate.
Formula:C14H14N2O5
InChI:InChI=1S/C14H14N2O5/c1-14(2,3)21-13(18)15-7-9(8-17)10-5-4-6-11(12(10)15)16(19)20/h4-8H,1-3H3
InChI key:InChIKey=SWKYBDSQTIHFOL-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(C=O)=C1)=CC=CC2N(=O)=O
Synonyms:
  • 1,1-Dimethylethyl 3-formyl-7-nitro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-formyl-7-nitro-, 1,1-dimethylethyl ester
  • tert-Butyl 3-formyl-7-nitro-1H-indole-1-carboxylate
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