Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)C=NNC(=O)COC1=C(C=C(Br)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZIGSTJYRWGBZGZ-UHFFFAOYSA-N
Formula
C13H9BrN4O6S
Mass
429.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
-
Subclass
Nitrobenzenes
-
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
Nitrophenyl ethers
Alternative Parents
2-nitrothiophenes Phenoxy compounds Phenol ethers Nitroaromatic compounds 2,5-disubstituted thiophenes Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Nitrothiophene - 2-nitrothiophene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Bromobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxygen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available