Compound Identification
SMILES
CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C1=CC=C(O1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MWFSYNQUBAZFIC-UHFFFAOYSA-N
Formula
C21H18N4O6S
Mass
454.46
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
Furoic acid and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Toluenes Alkyl aryl ethers Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Toluene - Furan - Thiosemicarbazide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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