Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C1=CC2=C(OCC(=O)N2)C=C1)N1CCCCCC1
InChIKey
InChIKey=MSTYGTRNEGUCJT-UHFFFAOYSA-N
Formula
C23H23N3O7
Mass
453.451
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
Benzoxazinones Aminobenzoic acids and derivatives Benzoic acid esters Benzomorpholines Nitrobenzenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Alkyl aryl ethers Azepanes Carboxylic acid esters Amino acids and derivatives Secondary carboxylic acid amides Lactams Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoxazinone - Benzoxazine - Aminobenzoic acid or derivatives - Benzomorpholine - Benzoate ester - Nitrobenzene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Azepane - Oxazinane - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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