Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCCOC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1
InChIKey
InChIKey=IUMQOBLUJJDDKX-UHFFFAOYSA-N
Formula
C30H30N4O9
Mass
590.589
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 acid esters
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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 acid esters
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Benzoyl derivatives Phenoxy compounds Phenol ethers Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Alkyl aryl ethers Dicarboxylic acids and derivatives N-substituted imidazoles Vinylogous amides Enoate esters Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Dialkylamines Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Imidazolyl carboxylic acid derivative - Phenol ether - Alkyl aryl ether - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - 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 - Secondary aliphatic amine - Azacycle - Enamine - Ether - Organoheterocyclic compound - Organic oxoazanium - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available