Compound Identification
SMILES
C[C@@H](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)[C@H]1C2CC(=O)CC(C2OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)N1C(C)=O
InChIKey
InChIKey=MDGJTLDDWMOQKD-QZTQEAHGSA-N
Formula
C25H23N3O10
Mass
525.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Nitrobenzenes Nitroaromatic compounds N-acylpyrrolidines Benzoyl derivatives Fatty acid esters Azepanes Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Acetamides Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - N-acylpyrrolidine - Benzoyl - Fatty acid ester - Azepane - Fatty acyl - Dicarboxylic acid or derivatives - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Pyrrolidine - Organic nitro compound - Cyclic ketone - C-nitro compound - Ketone - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available