Compound Identification
SMILES
COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C1=CC(C(=O)OCC(=O)NC2=C(Cl)C=CC(=C2)[N+]([O-])=O)=C(Cl)C=C1
InChIKey
InChIKey=ARVYFXORPNZNIH-UHFFFAOYSA-N
Formula
C25H21Cl2N3O8S
Mass
594.42
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
-
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
2-halobenzoic acids and derivatives Sulfanilides Benzenesulfonamides Anilides Benzenesulfonyl compounds Methoxyanilines Nitrobenzenes Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes N-arylamides Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers Organosulfonamides Aryl chlorides Vinylogous halides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Sulfanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Methoxyaniline - Anilide - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Organosulfonic acid amide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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