Compound Identification
SMILES
CCOC(=O)C1=C(C(=NO1)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ITASWOKRHADEDM-UHFFFAOYSA-N
Formula
C12H10N2O5
Mass
262.221
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available