CAS Registry Number: 61394-51-2

Name:

2H-​Indol-​2-​one, 1,​3-​dihydro-​4-​nitro-
4-​Nitro-​1,​3-​dihydro-​2H-​indol-​2-​one 

Chemical Formula: C8H6N2O3
Exact Mass: 178.04
Molecular Weight: 178.14
m/z: 178.04 (100.0%), 179.04 (8.8%), 180.04 (1.0%)
Elemental Analysis: C, 53.94; H, 3.39; N, 15.73; O, 26.94

InChI: InChI=1S/C8H6N2O3/c11-8-4-5-6(9-8)2-1-3-7(5)10(12)13/h1-3H,4H2,(H,9,11)
InChIKey: ZNBQKWDTXBXIID-UHFFFAOYSA-N
Canonical SMILES : C1C2=C(C=CC=C2[N+](=O)[O-])NC1=O

Specification

98%

1. (1) Gassman, Paul G.; Journal of Organic Chemistry 1977, V42(8), P1340-4 CAPLUS