Compound Identification
SMILES
CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)C(CCN1CCC(CC1)N1CCCN(CC2=C[N+]([O-])=CC=C2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=AULULSXPLVWPLM-NNIBMBRCSA-N
Formula
C35H42Cl2N6O4
Mass
681.66
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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Dichlorobenzenes Aralkylamines Pyrimidones Aryl chlorides Diazinanes Pyridinium derivatives Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Ureas Trialkylamines Oxime ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl chloride - Aryl halide - 1,3-diazinane - Piperidine - Pyridine - Pyridinium - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Oxime ether - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available