Compound Identification
SMILES
Cl.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl)=CN3C)=CN2C)C=C1C(=O)NCCCN
InChIKey
InChIKey=BUQNRVWYWMJPOV-UHFFFAOYSA-N
Formula
C32H40Cl3N9O4
Mass
721.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Aminobenzoic acids and derivatives
Alternative Parents
Benzamides Pyrrole carboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Nitrogen mustard compounds Benzoyl derivatives Dialkylarylamines N-methylpyrroles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrochlorides Monoalkylamines Organooxygen compounds Organic oxides Organochlorides Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Benzoyl - Nitrogen mustard - Aniline or substituted anilines - Pyrrole-2-carboxamide - Dialkylarylamine - Pyrrole-2-carboxylic acid or derivatives - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Alkyl chloride - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organooxygen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Primary amine - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available