Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCC(=O)CC2=O)C=C1
InChIKey
InChIKey=QKTQPRBTMNLASN-UHFFFAOYSA-N
Formula
C10H7NO5
Mass
221.168
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Nitroaromatic compounds Aryl alkyl ketones Beta-diketones Alkyl aryl ethers Benzenoids Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - 1,3-diketone - 1,3-dicarbonyl compound - Benzenoid - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Oxacycle - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available