Compound Identification
SMILES
COC1=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=CC(CC=C)=C1OCC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=IEGLBIQHNJIQCQ-UHFFFAOYSA-N
Formula
C29H23N3O8S
Mass
573.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
N-phenylthioureas Thiobarbituric acid derivatives Benzoic acids Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Diazinanes Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid - Nitrobenzene - Thiobarbiturate - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1,3-diazinane - Organic nitro compound - C-nitro compound - Thiourea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Ether - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available