Compound Identification
SMILES
COC1=CC=C(C=C1)C1(O)CC(C2=CC=C(C=C2)[N+]([O-])=O)=[N+]2CCCCCN12
InChIKey
InChIKey=ZNNOQIHCUDDRAE-UHFFFAOYSA-N
Formula
C21H24N3O4
Mass
382.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1,2-diazepanes Pyrazolines Organic oxoazanium compounds Azacyclic compounds Alkanolamines Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - 1,2-diazepane - Alkyl aryl ether - Diazepane - Pyrazoline - C-nitro compound - Organic nitro compound - Alkanolamine - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available