Compound Identification
SMILES
CCC(C)OC1=C(C=C(C=C2NC(=O)N(CC3=CC=C(O3)C(=O)OC)C2=O)C=C1Cl)[N+]([O-])=O
InChIKey
InChIKey=BDKNFNYFUXJCLC-UHFFFAOYSA-N
Formula
C21H20ClN3O8
Mass
477.85
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
Hydantoins Alpha amino acids and derivatives Furoic acid esters Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes N-acyl ureas Aryl chlorides Dicarboximides Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organochlorides Organonitrogen compounds Organic zwitterions Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Hydantoin - Alpha-amino acid or derivatives - Furoic acid ester - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - N-acyl urea - Chlorobenzene - Ureide - Halobenzene - Aryl chloride - Aryl halide - Imidazolidinone - Heteroaromatic compound - Dicarboximide - Methyl ester - Imidazolidine - Furan - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carbonic acid derivative - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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