Compound Identification
SMILES
COC1=C(C=CC(=C1)[N+]([O-])=O)N1CCCNCC1
InChIKey
InChIKey=SBMKTNZOWSGJPW-UHFFFAOYSA-N
Formula
C12H17N3O3
Mass
251.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
-
Subclass
Nitrobenzenes
-
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
Nitrophenyl ethers
Alternative Parents
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Dialkylarylamines Nitroaromatic compounds Methoxybenzenes 1,4-diazepanes Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Dialkylamines Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Diazepane - 1,4-diazepane - Alkyl aryl ether - C-nitro compound - Tertiary amine - Organic nitro compound - Secondary aliphatic amine - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic cation - 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