Compound Identification
SMILES
COC1=C(C=C(C)C(NC(=O)COC(=O)C2=CC(C)=NC3=CC=CC=C23)=C1)[N+]([O-])=O
InChIKey
InChIKey=VDMUVTWCZIWZFS-UHFFFAOYSA-N
Formula
C21H19N3O6
Mass
409.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Quinolines and derivatives Pyridinecarboxylic acids Anilides Methoxyanilines Nitrotoluenes Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds N-arylamides Alkyl aryl ethers Methylpyridines Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Quinoline - Anilide - Methoxyaniline - Nitrotoluene - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - N-arylamide - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Methylpyridine - Pyridine - Heteroaromatic compound - C-nitro compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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