Compound Identification
SMILES
COC1=C(OCN2N=C(C)C(=C2C)[N+]([O-])=O)C=CC(C=NNC(=O)C2=C(Cl)C=C(Cl)C=C2)=C1
InChIKey
InChIKey=SYORMRUCCCMDCY-UHFFFAOYSA-N
Formula
C21H19Cl2N5O5
Mass
492.31
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Pyrazoles Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - 1,3-dichlorobenzene - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Pyrazole - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Ether - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available