Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(O3)C3=CC(=C(C)C=C3)[N+]([O-])=O)C(=O)N2C1C1=CC=C(F)C=C1
InChIKey
InChIKey=YUIZUAVGNNIZDO-UHFFFAOYSA-N
Formula
C28H22FN3O6S
Mass
547.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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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 Fluorobenzenes Aryl fluorides Thiazoles Enoate esters Furans Heteroaromatic compounds Lactams Isothioureas Organic oxoazanium compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Azole - Furan - Thiazole - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organopnictogen compound - Organic zwitterion - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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