Compound Identification
SMILES
COC1=NC(=NC(NN=CC2=CC=C(O2)C2=CC=CC=C2[N+]([O-])=O)=N1)N1CCOCC1
InChIKey
InChIKey=PIQGWKMAZBGVPA-UHFFFAOYSA-N
Formula
C19H19N7O5
Mass
425.405
Taxonomic Classification
Taxonomy Tree
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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
2-methoxy-1,3,5-triazines Dialkylarylamines Nitroaromatic compounds Alkyl aryl ethers Aminotriazines Morpholines Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrazones Organic oxoazanium compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Nitroaromatic compound - Dialkylarylamine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Morpholine - 1,3,5-triazine - Oxazinane - Triazine - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic oxide - 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