Compound Identification
SMILES
C[C@H](NC(=O)COC(=O)C1=C(NCCO)C=CC(=C1)[N+]([O-])=O)C1=CC=CO1
InChIKey
InChIKey=AXJAMTFOIKAMIZ-NSHDSACASA-N
Formula
C17H19N3O7
Mass
377.353
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
Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Furans Heteroaromatic compounds Vinylogous amides 1,2-aminoalcohols Carboxylic acid esters Amino acids and derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Heteroaromatic compound - Furan - Vinylogous amide - Carboxylic acid ester - Secondary carboxylic acid amide - C-nitro compound - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Organic nitro compound - Alkanolamine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic salt - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteromonocyclic 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