Compound Identification
SMILES
CC1=C(C)C=C(NC(=O)C(C#N)=C2SC(=CC3=CC=C(O3)C3=CC=C(C=C3)[N+]([O-])=O)C(=O)N2C2=CC=CC=C2)C=C1
InChIKey
InChIKey=BJWJCORZYKGEHM-UHFFFAOYSA-N
Formula
C31H22N4O5S
Mass
562.6
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
Anilides o-Xylenes Nitroaromatic compounds N-arylamides Vinylogous amides Thiazoles Furans Heteroaromatic compounds Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - O-xylene - Xylene - Azole - Furan - Thiazole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organic zwitterion - 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