Compound Identification
SMILES
COC(=O)C1=CC=C(CN2C(=O)SC(=CC3=CC(=C(OC)C=C3OC)[N+]([O-])=O)C2=O)O1
InChIKey
InChIKey=MQZIPAMGNIMIRY-UHFFFAOYSA-N
Formula
C19H16N2O9S
Mass
448.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Dimethoxybenzenes Furoic acid esters Methoxyanilines Anisoles Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Thiazolidinediones Methyl esters Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Dimethoxybenzene - M-dimethoxybenzene - Furoic acid ester - Methoxyaniline - Phenol ether - Furoic acid or derivatives - Phenoxy compound - Methoxybenzene - Anisole - Nitroaromatic compound - Thiazolidinedione - Alkyl aryl ether - Thiazolidine - Furan - Heteroaromatic compound - Dicarboximide - Methyl ester - C-nitro compound - Organic nitro compound - Thiocarbamic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available