Compound Identification
SMILES
CNC1=C(C=C(C=C1)C1=NN(C(O1)C1=CC(OC)=C(OC)C(OC)=C1)C(C)=O)[N+]([O-])=O
InChIKey
InChIKey=IOTBUOAEDQDNOK-UHFFFAOYSA-N
Formula
C20H22N4O7
Mass
430.417
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
Aniline and substituted anilines Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Acetamides Amino acids and derivatives Organic oxoazanium compounds Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Phenylalkylamine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Acetamide - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Oxacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Amine - Organic oxide - 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