Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2=C(SC3=CC=CC=C3)C=CC(=C2)[N+]([O-])=O)=C(C)N1CC1CCCO1
InChIKey
InChIKey=MDXGSLXTVZZZBX-UHFFFAOYSA-N
Formula
C26H26N2O6S
Mass
494.56
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
Diarylthioethers Benzoic acid esters O-sulfanylbenzoic acids and derivatives Nitrobenzenes Aryl alkyl ketones Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Vinylogous thioesters Substituted pyrroles Vinylogous amides Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Aldehydes Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Diarylthioether - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Nitrobenzene - Aryl alkyl ketone - Aryl thioether - Aryl ketone - Thiophenol ether - Nitroaromatic compound - Benzoyl - Substituted pyrrole - Vinylogous thioester - Pyrrole - Oxolane - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Aldehyde - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic oxide - 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