CAS Registry Number: 188121-31-5

Name:

Isoquinoline, 6-​methyl-​5-​nitro-
6-​Methyl-​5-​nitroisoquinoline 

Chemical Formula: C10H8N2O2
Exact Mass: 188.06
Molecular Weight: 188.18
m/z: 188.06 (100.0%), 189.06 (11.7%)
Elemental Analysis: C, 63.82; H, 4.28; N, 14.89; O, 17.00

InChI: InChI=1S/C10H8N2O2/c1-7-2-3-8-6-11-5-4-9(8)10(7)12(13)14/h2-6H,1H3
InChIKey: YYPKZGWCMPOFRV-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C2=C(C=C1)C=NC=C2)[N+](=O)[O-]

Specification

98%

1. (1) Achmatowicz, Michal; Journal of Organic Chemistry 2008, V73(17), P6793-6799 CAPLUS
2. (2) Smith, Adrian L.; Journal of Medicinal Chemistry 2009, V52(20), P6189-6192 CAPLUS