Compound Identification
SMILES
CC1=CC(N2C(=S)NN=C2C2=CC(COC3=C(C=C(C)C=C3)[N+]([O-])=O)=CC=C2)=C(C)C=C1
InChIKey
InChIKey=DAXBOTOJLSKAEB-UHFFFAOYSA-N
Formula
C24H22N4O3S
Mass
446.53
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
Phenyl-1,2,4-triazoles Nitrotoluenes Nitroaromatic compounds p-Xylenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Triazolines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organosulfur compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenyltriazole - Nitrophenyl ether - Nitrotoluene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Xylene - P-xylene - Alkyl aryl ether - Toluene - Heteroaromatic compound - Triazole - 1,2,4-triazole - Triazoline - Azole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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