Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NN2C(S1)=NC(=O)C(=CC1=CC=C(O1)C1=C(C)C=C(C=C1)[N+]([O-])=O)C2=N
InChIKey
InChIKey=LLRRHTJCPQTAIF-UHFFFAOYSA-N
Formula
C24H17N5O4S
Mass
471.49
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
Nitrotoluenes Nitroaromatic compounds Pyrimidones Hydropyrimidines Imidolactams Furans Heteroaromatic compounds Thiadiazolines N-acylimines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Carboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Pyrimidone - Toluene - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiadiazoline - C-nitro compound - Organic nitro compound - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Oxacycle - Amidine - Organic oxoazanium - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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