Compound Identification
SMILES
CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1.[O-][N+](=O)C1=CC(=C(ONC=C2C=C(Br)C(=O)C(Br)=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZJXAGKSUXBGPGQ-UHFFFAOYSA-N
Formula
C22H23Br2ClN8O6
Mass
690.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
1,3,5-triazine-2,4-diamines Nitroaromatic compounds O-phenylhydroxylamines Phenoxy compounds P-quinomethanes Chloro-s-triazines N-aliphatic s-triazines Secondary alkylarylamines Aryl chlorides Alpha-haloketones Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds N-organohydroxylamines Vinyl bromides Bromoalkenes Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organobromides Organochlorides
Molecular Framework
Not available
Substituents
Nitrobenzene - Quinomethane - P-quinomethane - Phenoxy compound - 2,4-diamine-s-triazine - O-phenylhydroxylamine - Nitroaromatic compound - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Amino-1,3,5-triazine - Chloro-s-triazine - Aminotriazine - Halo-s-triazine - 1,3,5-triazine - Aryl halide - Aryl chloride - Triazine - Heteroaromatic compound - Alpha-haloketone - Organic nitro compound - C-nitro compound - Cyclic ketone - Ketone - Azacycle - N-organohydroxylamine - Bromoalkene - Organic oxoazanium - Haloalkene - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Vinyl bromide - Vinyl halide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available