Compound Identification
SMILES
OC1COC2(N=NC3=CC=C(C=C3)[N+]([O-])=O)C1OC(=O)\C2=N/NC1=CC=CC=C1
InChIKey
InChIKey=PHUNPIGGZFZUNH-MZGQFTPUSA-N
Formula
C18H15N5O6
Mass
397.347
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
Phenylhydrazines Furofurans Nitroaromatic compounds Gamma butyrolactones Oxolanes Secondary alcohols Azo compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrazones Monocarboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Furofuran - Phenylhydrazine - Gamma butyrolactone - Oxolane - Azo compound - Carboxylic acid ester - Lactone - Organic nitro compound - C-nitro compound - Secondary alcohol - Carboxylic acid derivative - Hydrazone - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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