Compound Identification
SMILES
COC(=O)C1=C(NC(C)=C(C1C1=C(OCCCCNCC(O)COC2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N
InChIKey
InChIKey=IOTDHQQEQPOUEP-UHFFFAOYSA-N
Formula
C32H38N4O9
Mass
622.675
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 Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Enamines Nitriles Organic zwitterions Organic oxides Carbonyl compounds Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Dihydropyridinecarboxylic acid derivative - Phenol ether - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Ether - Carbonitrile - Nitrile - 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 - Organic salt - Carbonyl group - Cyanide - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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