Compound Identification
SMILES
CCC1=C([C@@H](N=C(N1)OC)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCCC#N
InChIKey
InChIKey=UQQYXHHJWCUHTL-HNNXBMFYSA-N
Formula
C17H18N4O5
Mass
358.354
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 Hydropyrimidines
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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
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Vinylogous amides Enoate esters Isoureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxoazanium compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic salt - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available