Compound Identification
SMILES
COC1=CC(=C(NC(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=CO2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=IZCMYSHBSDFVFU-UHFFFAOYSA-N
Formula
C21H17N5O5S
Mass
451.46
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
Phenyl-1,2,4-triazoles Anilides Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Furans Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenyl-1,2,4-triazole - Phenyltriazole - Anilide - Methoxyaniline - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - N-arylamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Furan - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Ether - Organoheterocyclic compound - Thioether - Azacycle - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - 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