Compound Identification
SMILES
CC1=C(C=CC=C1[N+]([O-])=O)C1=CC=C(O1)C=C1SC(=NC1=O)N1CCOCC1
InChIKey
InChIKey=QYMUHAAPDPIBRM-UHFFFAOYSA-N
Formula
C19H17N3O5S
Mass
399.42
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 Morpholines Thiazolines Furans Heteroaromatic compounds Isothioureas N-acylimines Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Amines Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - Morpholine - Oxazinane - Heteroaromatic compound - Furan - Meta-thiazoline - Organic nitro compound - Isothiourea - C-nitro compound - N-acylimine - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen 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