Compound Identification
SMILES
CCN(CCCl)C1=CC=C(NC2=C(C=C(C(=C2)C(N)=O)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=HMZZMBXJUXCVSL-UHFFFAOYSA-N
Formula
C17H18ClN5O5
Mass
407.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
-
Subclass
Aniline and substituted anilines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Aminobenzamides Benzamides Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Organooxygen compounds Organopnictogen compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Organic nitro compound - Tertiary amine - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Alkyl halide - Organopnictogen compound - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available