Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)S(=O)(=O)NCC(=O)NN=CC1=CC(=C(OC)C=C1)[N+]([O-])=O
InChIKey
InChIKey=GTULWSPSHGRRTP-UHFFFAOYSA-N
Formula
C18H20N4O8S
Mass
452.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
-
Subclass
Nitrobenzenes
-
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
Nitrophenyl ethers
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Methoxyanilines Nitroaromatic compounds Phenoxy compounds Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - O-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available