Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)O2
InChIKey
InChIKey=VCWQQTDVYIMEOL-UHFFFAOYSA-N
Formula
C18H13N3O7
Mass
383.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Benzoic acids and derivatives Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid hydrazides Lactones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Anisole - Benzoyl - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Lactone - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Ether - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available