Compound Identification
SMILES
COC1=C(NC(=O)CSC2=NN=C(CNC3=C(C)C=C(C)C=C3)N2CC2CCCO2)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=MRVQPHKGVDSWRP-UHFFFAOYSA-N
Formula
C25H30N6O5S
Mass
526.61
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
Methoxyanilines Anilides m-Xylenes Methoxybenzenes N-arylamides Phenylalkylamines Phenoxy compounds Nitroaromatic compounds Anisoles Alkyl aryl ethers Secondary alkylarylamines Alkylarylthioethers Triazoles Oxolanes Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Carbonyl compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Anilide - Methoxyaniline - Phenylalkylamine - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Aryl thioether - Nitroaromatic compound - N-arylamide - Anisole - M-xylene - Xylene - Phenol ether - Alkylarylthioether - Secondary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - 1,2,4-triazole - Azole - Heteroaromatic compound - Oxolane - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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