Compound Identification
SMILES
CCCC1=CC=C(C=C1)C(=O)N(C)CCCN1C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OC(C)C)=C(C)NC1=O
InChIKey
InChIKey=FMRCRYSLAOWOJH-UHFFFAOYSA-N
Formula
C29H36N4O6
Mass
536.629
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
Benzamides Phenylpropanes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrimidones Vinylogous amides Tertiary carboxylic acid amides Enoate esters Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Urea - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - 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