Compound Identification
SMILES
CN(C)CCCS\C(\N=C\OOC(=O)C1=CC=C(C=C1)[N+]([O-])=O)=N\C(=O)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=GIKYIDYDLNIQGR-LGLHSBMDSA-N
Formula
C22H21N5O10S
Mass
547.5
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
Nitrobenzoic acids and derivatives
Alternative Parents
Peroxybenzoic acids and derivatives Benzyloxycarbonyls Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Peroxycarboxylic acids and derivatives Trialkylamines Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Imines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzyloxycarbonyl - Peroxybenzoate - Nitrobenzene - Nitroaromatic compound - Benzoyl - Peroxycarboxylic acid or derivatives - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Imine - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available