Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)OCC1=NC(N)=NC(NC2=CC=CC=C2C)=N1
InChIKey
InChIKey=JAFGVKLSLIBQMA-UHFFFAOYSA-N
Formula
C20H21N5O4
Mass
395.419
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
M-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Anisoles Benzoyl derivatives Phenoxy compounds Toluenes Alkyl aryl ethers 1,3,5-triazines Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - 2,4-diamine-s-triazine - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Toluene - Aminotriazine - Amino-1,3,5-triazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available