Compound Identification
SMILES
CC(NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=NCC1=CC=CO1
InChIKey
InChIKey=DJYAHLISYZHDDJ-UHFFFAOYSA-N
Formula
C13H13N5O5
Mass
319.277
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
Phenylhydrazines Nitroaromatic compounds Heteroaromatic compounds Furans Amidrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Amidines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Furan - Heteroaromatic compound - Carboxylic acid amidrazone - C-nitro compound - Organic nitro compound - Amidine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Organic nitrogen compound - 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