Compound Identification
SMILES
COC(=O)C1=CC=C(C=NNC2=C(C=C(C=C2)S(=O)(=O)N2CCOCC2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=GILXTAFOWAAQQX-UHFFFAOYSA-N
Formula
C19H20N4O7S
Mass
448.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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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 acid esters
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Phenylhydrazines Benzoyl derivatives Nitroaromatic compounds Organosulfonamides Morpholines Sulfonyls Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Hydrazones Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organopnictogen compounds Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylhydrazine - Morpholine - Oxazinane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Hydrazone - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available