Compound Identification
SMILES
COC1=CC2=C(C=C1)C(COC(=O)C1=CC(=C(SC3=CC=C(C)C=C3)C=C1)[N+]([O-])=O)=CC(=O)O2
InChIKey
InChIKey=GOFYDYXCDDKEBW-UHFFFAOYSA-N
Formula
C25H19NO7S
Mass
477.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Coumarins and derivatives P-sulfanylbenzoic acids and derivatives Benzoic acid esters 1-benzopyrans Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Benzoyl derivatives Anisoles Pyranones and derivatives Fatty acid esters Alkyl aryl ethers Heteroaromatic compounds Enol esters Enoate esters Thioenol ethers Lactones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Diarylthioether - Coumarin - 1-benzopyran - P-sulfanylbenzoic acid or derivatives - Benzopyran - Benzoate ester - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Benzoyl - Anisole - Pyranone - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Pyran - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Organic nitro compound - Thioenolether - C-nitro compound - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - 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