Compound Identification
SMILES
COC1=C(C=C(C)C(NC2=C3C4=C(CCCC4)SC3=NC=N2)=C1)[N+]([O-])=O
InChIKey
InChIKey=YHMCWGFMRZTHIT-UHFFFAOYSA-N
Formula
C18H18N4O3S
Mass
370.43
Taxonomic Classification
Taxonomy Tree
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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
Methoxyanilines Thienopyrimidines Nitrotoluenes Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Organic oxoazanium compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Thienopyrimidine - Nitrotoluene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Toluene - Imidolactam - Pyrimidine - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Amine - Aromatic heteropolycyclic 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