Compound Identification
SMILES
[O-][N+](=O)C1=CC(C(=O)NC2=CC3=C(OC(=N3)C3=CN=CC=C3)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=VTCJZSLVFCMTOQ-UHFFFAOYSA-N
Formula
C19H11ClN4O4
Mass
394.77
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoxazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Pyridines and derivatives Aryl chlorides Vinylogous halides Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoxazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Vinylogous halide - Azole - Heteroaromatic compound - Oxazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available