Compound Identification
SMILES
CCOC1=CC=C(NC2=NC=NC(NC3=CC=C(C=C3)C(O)=O)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=WJDKNGVRYCYPQI-UHFFFAOYSA-N
Formula
C19H17N5O5
Mass
395.375
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Amine - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available