Search MNXref
 Feedback

2-methyl-1,5-dinitro-3-nitrosobenzene

PropertiesImage
MNX_IDMNXM9869 Image of MNXM9869
referencemetacycM:CPD-10451
formulaC7H5N3O5
global charge0
mol weight211.133
InChIKeyCVKROUKPCDJVNY-UHFFFAOYSA-N
InChIInChI=1S/C7H5N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3H,1H3
SMILESCC1=C(N=O)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H5N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3H,1H3 Image of MNXM9869
SMILES (mnx)[CH3:1][C:4]1=[C:6]([N:8]=[O:11])[CH:2]=[C:5]([N+:9]([O-:12])=[O:13])[CH:3]=[C:7]1[N+:10]([O-:14])=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10451
metacycM:CPD-10451
CVKROUKPCDJVNY-UHFFFAOYSA-N
2-methyl-1,5-dinitro-3-nitrosobenzene
2-nitroso-4,6-dinitrotoluene

seed.compound:cpd22685
seedM:cpd22685
CVKROUKPCDJVNY-UHFFFAOYSA-N
2-NO-4,6-dinitrotoluene
2-methyl-1,5-dinitro-3-nitrosobenzene
2-nitroso-4,6-dinitrotoluene
hmdb:HMDB0304076
CVKROUKPCDJVNY-UHFFFAOYSA-N
2-methyl-1,5-dinitro-3-nitrosobenzene
2-nitroso-4,6-Dinitrotoluene

seedM:M_cpd22685
secondary/obsolete/fantasy identifier