Compound Identification
SMILES
CN(CC(=O)NC1=C(C)C=CC=C1C)C(=O)COC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MFHXWIATXRENSD-UHFFFAOYSA-N
Formula
C20H22N4O6
Mass
414.418
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
Alpha amino acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Anilides Nitrobenzenes m-Xylenes Aniline and substituted anilines Benzoyl derivatives N-arylamides Nitroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Nitroaromatic compound - M-xylene - Xylene - Benzoyl - Aniline or substituted anilines - N-arylamide - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Primary amine - Organic oxide - Organic salt - Organonitrogen compound - Organic zwitterion - Aromatic homomonocyclic 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