Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=YIENNFCTYDFHMA-UHFFFAOYSA-N
Formula
C19H19N3O8S
Mass
449.43
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
Benzoic acid esters Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Anilides Benzoyl derivatives Nitroaromatic compounds N-arylamides Morpholines Organosulfonamides Sulfonyls Secondary carboxylic acid amides Carboxylic acid esters Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Anilide - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Organosulfonic acid amide - Morpholine - Oxazinane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Aromatic heteromonocyclic 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