Compound Identification
SMILES
CCCCC1=CC=C(C=C1)N1N=C2C=C(C)C(NC(=S)NC(=O)C3=CC(=C(OCC)C=C3)[N+]([O-])=O)=CC2=N1
InChIKey
InChIKey=AOUXKVVFHLDKPG-UHFFFAOYSA-N
Formula
C27H28N6O4S
Mass
532.62
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-1,2,3-triazoles Benzoic acids and derivatives Benzotriazoles Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzoyl derivatives Alkyl aryl ethers Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Phenyltriazole - Phenyl-1,2,3-triazole - Benzoic acid or derivatives - Benzotriazole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - C-nitro compound - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - 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