Compound Identification
SMILES
COC(=O)C(=O)C1=C(N2C(N)=NN=C2N=C1C(=O)OC)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=DPCDHGHJBKBXFP-UHFFFAOYSA-N
Formula
C16H12N6O7
Mass
400.307
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Triazolopyrimidines Pyrimidinecarboxylic acids Nitrobenzenes Aryl ketones Nitroaromatic compounds Alpha-keto acids and derivatives Vinylogous amides Triazoles Methyl esters Heteroaromatic compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Nitrobenzene - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Nitroaromatic compound - Aryl ketone - Monocyclic benzene moiety - Keto acid - Alpha-keto acid - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Triazole - 1,2,4-triazole - Methyl ester - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available