Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N2C(SC(=CC3=CC=C(C=C3)[N+]([O-])=O)C2=O)=NC(C)=C1C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=PTDBVTUMXOJHOH-UHFFFAOYSA-N
Formula
C30H23N3O7S
Mass
569.59
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 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
Benzyloxycarbonyls Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thiazoles Enoate esters Heteroaromatic compounds Methyl esters Isothioureas Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic 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