Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1OB(OCC1NC(=O)C(Cl)Cl)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LULBLTMQFHQNBU-UHFFFAOYSA-N
Formula
C17H14BCl2N3O7
Mass
454.02
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
Nitroaromatic compounds Boronic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Boronic acid ester - Boronic acid derivative - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic metalloid salt - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic oxide - Organic salt - Alkyl chloride - 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