Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=NC(=CC2=C(C)C=CS2)C(=O)O1)[N+]([O-])=O
InChIKey
InChIKey=JFKQWGLXYFOXHT-UHFFFAOYSA-N
Formula
C16H12N2O5S
Mass
344.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Alpha amino acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 4-Hydrocarbylideneazlactones Alkyl aryl ethers Thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 4-hydrocarbylideneazlactone - Oxazoline - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - 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