Compound Identification
SMILES
COC1=CC=C(C=NNC2=C(C=C(C)C=C2[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=NLLNZKFNLPRGFW-UHFFFAOYSA-N
Formula
C15H14N4O5
Mass
330.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
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Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
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Level 5
Nitrotoluenes
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
Nitrobenzenes Phenylhydrazines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrazone - Ether - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors
Not available