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CAS Number: 205448-44-8
6,7-dimethoxy-3-nitroquinolin-2(1H)-one

Structure

6,7-dimethoxy-3-nitroquinolin-2(1H)-one
Name: 6,7-dimethoxy-3-nitroquinolin-2(1H)-one
Synonyms:
General Information
Product Number: 205448448
CAS Registry Number: 205448-44-8
Name:
 
        4(1H)​-​Quinolinone, 6,​7-​dimethoxy-​3-​nitro-
        6,​7-​Dimethoxy-​3-​nitro-​1,​4-​dihydroquinolin-​4-​one; 6,​7-​Dimethoxy-​3-​nitroquinolin-​4(1H)​-​one 
 
Chemical Formula: C11H10N2O5
Exact Mass: 250.06
Molecular Weight: 250.21
m/z: 250.06 (100.0%), 251.06 (12.8%), 252.06 (1.1%)
Elemental Analysis: C, 52.80; H, 4.03; N, 11.20; O, 31.97
 
InChI: InChI=1S/C11H10N2O5/c1-17-9-3-6-7(4-10(9)18-2)12-5-8(11(6)14)13(15)16/h3-5H,1-2H3,(H,12,14)
InChIKey: ZWHKUFJMQKYROB-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-])OC

Specification

98%

References
  1. (1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2014 ACD/Labs)
  2. (2) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V11.01 (© 1994-2014 ACD/Labs)
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