Compound Identification
SMILES
NC1=C(Br)C=C(Br)C=C1CNC1CCC(CC1)OC(=O)CCC(=O)OCCCCO[N+]([O-])=O
InChIKey
InChIKey=LFCMEPUXEYAINA-UHFFFAOYSA-N
Formula
C21H29Br2N3O7
Mass
595.285
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
2-bromoanilines Benzylamines Aralkylamines Bromobenzenes Cyclohexylamines Fatty acid esters Aryl bromides Dicarboxylic acids and derivatives Alkyl nitrates Amino acids and derivatives Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Dialkylamines Carbonyl compounds Primary amines Organobromides Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzylamine - Aniline or substituted anilines - Phenylmethylamine - 2-bromoaniline - Halobenzene - Fatty acid ester - Aralkylamine - Bromobenzene - Cyclohexylamine - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Organic nitrate - Alkyl nitrate - Carboxylic acid ester - Organic nitro compound - Organic nitric acid or derivatives - Amino acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Secondary amine - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available