CAS Registry Number 166104-19-4
Name:
1H-​Indole-​1-​carboxylic acid, 5-​nitro-​, 1,​1-​dimethylethyl ester
5-Nitroindole-1-carboxylic acid tert-butyl ester
tert-Butyl 5-nitro-1H-indole-1-carboxylate
tert-Butyl 5-nitroindole-1-carboxylate

Chemical Formula: C13H14N2O4
Exact Mass: 262.10
Molecular Weight: 262.26
m/z: 262.10 (100.0%), 263.10 (14.4%), 264.10 (1.9%)

InChI: InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-7-6-9-8-10(15(17)18)4-5-11(9)14/h4-8H,1-3H3
InChIKey: GSHXPDVMVVLYLH-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)[N+](=O)[O-]

Specification

98%

1. (1) Seggio, Anne; Synthesis 2009, (21), P3617-3632 CAPLUS
2. (2) Chakrabarty, Manas; Synthetic Communications 2006, V36(14), P2069-2077 CAPLUS