Compound Identification
SMILES
COC1=C(C=C(C=C1)C1NC2=C(C3=C(CN(CC4=CC=CC=C4)CC3)S2)C(=O)N1)[N+]([O-])=O
InChIKey
InChIKey=OQCBDXCYMZRRAE-UHFFFAOYSA-N
Formula
C23H22N4O4S
Mass
450.51
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
3,4,5-trisubstituted-2-aminothiophenes Methoxyanilines Phenylmethylamines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - 3,4,5-trisubstituted-2-aminothiophene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Aralkylamine - 2-aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organic salt - 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