Compound Identification
SMILES
CC1=C(SC2=C(C(C(=O)OCC3=CC=CC=C3)=C(C(OCC3=CC=CC=C3)=C2)[N+]([O-])=O)[N+]([O-])=O)C(=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=PYLMTPPBNRNGGP-UHFFFAOYSA-N
Formula
C29H21N3O11S
Mass
619.56
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 Nitrophenyl ethers Benzoic acid esters Benzyloxycarbonyls M-sulfanylbenzoic acids Benzoic acids Nitrotoluenes Thiophenol ethers Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid esters Carboxylic acids Sulfenyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - Diarylthioether - Benzoate ester - Benzyloxycarbonyl - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitrotoluene - Benzoyl - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Thiophenol ether - Alkyl aryl ether - Toluene - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Organic cation - Aromatic homomonocyclic 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