Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(CCN2CCN(CC2)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=XFQXVFJVQICQIZ-UHFFFAOYSA-N
Formula
C17H18N4O5S
Mass
390.41
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
2-nitrothiophenes Benzamides Benzoyl derivatives Nitroaromatic compounds 2,5-disubstituted thiophenes Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - 2-nitrothiophene - Nitrothiophene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aralkylamine - N-alkylpiperazine - 2,5-disubstituted thiophene - 1,4-diazinane - Piperazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic salt - Organic oxide - Organooxygen compound - Organic cation - Aromatic heteromonocyclic 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