Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC(C=C(C#N)C(N)=O)=C1
InChIKey
InChIKey=MJLHMLLEMMXMPP-UHFFFAOYSA-N
Formula
C17H13N3O7S
Mass
403.37
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
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
Cinnamic acid amides p-Bromobenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Primary carboxylic acid amides Nitriles Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - Cinnamic acid amide - Cinnamic acid or derivatives - Benzenesulfonate ester - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Organic oxoazanium - Carbonyl group - Cyanide - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors
Not available