Compound Identification
SMILES
Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.CNC1Cc2c[nH]c3cccc(c23)C11OC(=O)C(C)=C1
InChIKey
InChIKey=GWJHOFUIQSVXEU-UHFFFAOYSA-N
Formula
C22H19N5O9
Mass
497.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
3-alkylindoles Nitrobenzenes Isoindoles and derivatives Nitroaromatic compounds Aralkylamines Butenolides Pyrroles Enoate esters Heteroaromatic compounds Amino acids and derivatives Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Nitrophenol - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - Lactone - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available