Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C[NH+]2CCN(CC2)C(=O)C2=CC=CO2)C=C1
InChIKey
InChIKey=AKZUVQSCRWMOEZ-UHFFFAOYSA-O
Formula
C16H18N3O4
Mass
316.336
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenylmethylamines 2-heteroaryl carboxamides Benzylamines Furoic acid and derivatives Nitroaromatic compounds Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2-heteroaryl carboxamide - Benzylamine - Furoic acid or derivatives - Nitroaromatic compound - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Furan - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available