Compound Identification
SMILES
NC1=NON=C1N1N=NC(CN2CCOCC2)=C1C(=O)NN=CC1=CC=CC=C1C(O)=O
InChIKey
InChIKey=KDPZSFFLPZGSJZ-UHFFFAOYSA-N
Formula
C18H19N9O5
Mass
441.408
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Benzoyl derivatives Aralkylamines Morpholines Imidolactams Triazoles Furazans Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Aralkylamine - Morpholine - Oxazinane - Imidolactam - Heteroaromatic compound - Azole - Furazan - Oxadiazole - 1,2,3-triazole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - 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