Compound Identification
SMILES
COC1=CC2=C(C=C1)N(C=C2C(=O)CN=[N+]=[N-])C(=O)OC(C)(C)C
InChIKey
InChIKey=WWJPHKPQICOLDM-UHFFFAOYSA-N
Formula
C16H18N4O4
Mass
330.344
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
Indoles Pyrrole carboxylic acids and derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azo imides Azo compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Indole - Anisole - Phenol ether - Pyrrole-1-carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - Azo imide - Azo compound - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available