Compound Identification
SMILES
CC1=CC(=C(C)C=C1C1=CC=C(O1)C=NNC(=O)CN1N=NN=C1N)[N+]([O-])=O
InChIKey
InChIKey=BENNNZWIYSFIIK-UHFFFAOYSA-N
Formula
C16H16N8O4
Mass
384.356
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 p-Xylenes Nitroaromatic compounds Primary aromatic amines Tetrazoles Furans Heteroaromatic compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Xylene - P-xylene - Primary aromatic amine - Azole - Furan - Tetrazole - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Oxacycle - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Amine - Organic salt - Organopnictogen compound - 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