Compound Identification
SMILES
CNCCN(C)CC1=CC=C(C=C1)C1=CSC(=N1)C1=CC(=C(OC)C=C1)[N+]([O-])=O
InChIKey
InChIKey=XYWPSDXISLJOOA-UHFFFAOYSA-N
Formula
C21H24N4O3S
Mass
412.51
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
Methoxyanilines Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylmethylamines Aralkylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Dialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aralkylamine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Ether - Organic oxoazanium - Organic oxide - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - 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