Compound Identification
SMILES
CCCCC1=NC(Cl)=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)C(=O)OC(=C)\C=C(\CO[N+]([O-])=O)C=C
InChIKey
InChIKey=XYIQZXPZBMYYME-CAPFRKAQSA-N
Formula
C29H28ClN7O5
Mass
590.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenyltetrazoles and derivatives 1,2,4,5-tetrasubstituted imidazoles Carbonylimidazoles Aryl chlorides N-substituted imidazoles Vinylogous halides Alkyl nitrates Enol esters Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organooxygen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Phenyltetrazole - 1,2,4,5-tetrasubstituted imidazole - Imidazole-4-carbonyl group - Aryl chloride - N-substituted imidazole - Aryl halide - Alkyl nitrate - Vinylogous halide - Enol ester - Imidazole - Organic nitrate - Tetrazole - Azole - Heteroaromatic compound - Organic nitric acid or derivatives - Carboxylic acid ester - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available