Compound Identification
SMILES
CCC1=CC2=C(S1)N=C(SCC(=O)NC1=CC(OC)=C(C=C1C)[N+]([O-])=O)N(CCC1=CC(OC)=C(OC)C=C1)C2=O
InChIKey
InChIKey=DMYVHQVQIKRAPA-UHFFFAOYSA-N
Formula
C28H30N4O7S2
Mass
598.69
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
Dimethoxybenzenes Thienopyrimidines Anilides Nitrotoluenes Methoxyanilines Anisoles Phenoxy compounds 2,3,5-trisubstituted thiophenes Nitroaromatic compounds N-arylamides Pyrimidones Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Dimethoxybenzene - O-dimethoxybenzene - Thienopyrimidine - Anilide - Methoxyaniline - Nitrotoluene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - 2,3,5-trisubstituted thiophene - Phenol ether - N-arylamide - Pyrimidone - Toluene - Alkyl aryl ether - Alkylarylthioether - Pyrimidine - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Organic nitro compound - C-nitro compound - Carboxamide group - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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