Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CNNC(=O)C2=CC=CC=C2OCC2=CC(Br)=CC=C2)C(=O)C=C1
InChIKey
InChIKey=FVMHHJQSAWQLTH-UHFFFAOYSA-N
Formula
C21H16BrN3O5
Mass
470.279
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives O-quinomethanes Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides C-nitro compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - O-quinomethane - Phenoxy compound - Phenol ether - Quinomethane - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Vinylogous amide - Carboxylic acid hydrazide - C-nitro compound - Ketone - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available