Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C=C1)C(\CSC1=NC2=CC=CC=C2S1)=N\OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OHJSFDDYMDIYBL-ZXVVBBHZSA-N
Formula
C25H21N3O7S2
Mass
539.58
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
Benzothiazoles Nitrobenzenes Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Oxime esters Thiazoles Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - 1,3-benzothiazole - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Azole - Heteroaromatic compound - Oximester - Thiazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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