Compound Identification
SMILES
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=CC(Br)=C1
InChIKey
InChIKey=RWQAELQWXIABCI-UHFFFAOYSA-N
Formula
C23H20BrN3O6
Mass
514.332
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Pyrans Aryl bromides Vinylogous esters Enoate esters Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Nitriles Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic salts Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyran - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Cyanide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic zwitterion - 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