Compound Identification
SMILES
OC(=O)\C=C\C([O-])=O.OC(=O)\C=C\C([O-])=O.COc1cc(C(=O)OCCC[NH+]2CCC[NH+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3[N+]([O-])=O)CC2)c(c(OC)c1OC)[N+]([O-])=O
InChIKey
InChIKey=PTJGIJNUKVLKSG-LVEZLNDCSA-N
Formula
C39H50N4O22
Mass
926.835
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
Gallic acid and derivatives M-methoxybenzoic acids and derivatives Nitrophenyl ethers P-methoxybenzoic acids and derivatives Benzoic acid esters Methoxyanilines Phenoxy compounds Benzoyl derivatives Methoxybenzenes Anisoles Nitroaromatic compounds 1,4-diazepanes Alkyl aryl ethers Dicarboxylic acids and derivatives Unsaturated fatty acids Quaternary ammonium salts Carboxylic acid esters Trialkylamines Carboxylic acid salts Amino acids and derivatives Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzoate - Gallic acid or derivatives - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyaniline - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Diazepane - Alkyl aryl ether - 1,4-diazepane - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Organic nitro compound - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid - Organic salt - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic cation - 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