Compound Identification
SMILES
COC1=C\C(=C\NNC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=CC1=O
InChIKey
InChIKey=FMBDFILPHXQMJJ-CCEZHUSRSA-N
Formula
C23H20N8O4
Mass
472.465
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
P-quinomethanes Nitroaromatic compounds Aniline and substituted anilines 1,3,5-triazine-2,4-diamines 1,3,5-triazines Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - P-quinomethane - Quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Hydrazine derivative - Organic oxygen compound - Organic zwitterion - Amine - 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