Compound Identification
SMILES
[O-][Cl](=O)(=O)=O.COC1=CC=C(C=C1)[N+]1=NC(=NN(C1)C1=CC=CC=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IMMKGUBYCGURGU-UHFFFAOYSA-M
Formula
C21H18ClN5O7
Mass
487.85
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
Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Diazonium perchlorates Anisoles Alkyl aryl ethers Organic perchlorate salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Diazonium perchlorate - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organic perchlorate - Organic perchlorate salt - C-nitro compound - Organic chlorate - Organic nitro compound - Organoheterocyclic compound - Ether - Hydrazone - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - 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