Compound Identification
SMILES
CC1=C(C(C2=C(OCCCCNCC(O)C3=CC=CC=C3)C=CC(=C2)[N+]([O-])=O)C(C(O)=O)=C(C)N1)C(O)=O
InChIKey
InChIKey=CAKKPAQOYGZCMG-UHFFFAOYSA-N
Formula
C27H31N3O8
Mass
525.558
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
Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Dicarboxylic acids and derivatives Vinylogous amides Secondary alcohols 1,2-aminoalcohols Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Dialkylamines Enamines Carbonyl compounds Organic zwitterions Aromatic alcohols Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Dihydropyridine - Aralkylamine - Dicarboxylic acid or derivatives - Hydropyridine - Vinylogous amide - Organic nitro compound - Amino acid or derivatives - 1,2-aminoalcohol - C-nitro compound - Amino acid - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Carbonyl group - Alcohol - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Aromatic alcohol - 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