Compound Identification
SMILES
Cl.COC(=O)C1=C(C=CC=C1S(=O)(=O)N(CCO)CCN(C)C)[N+]([O-])=O
InChIKey
InChIKey=FNHZXACDABXPCP-UHFFFAOYSA-N
Formula
C14H22ClN3O7S
Mass
411.85
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
Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Methyl esters Amino acids and derivatives Trialkylamines Propargyl-type 1,3-dipolar organic compounds Alkanolamines Organic oxoazanium compounds Hydrochlorides Hydrocarbon derivatives Organic zwitterions Primary alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Alkanolamine - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrochloride - Organic nitrogen compound - Organic salt - 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