Compound Identification
SMILES
COC1=C(I)C=C(C=C1)C(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=HPRSMNCJNCGPFE-UHFFFAOYSA-N
Formula
C16H13IN4O5S
Mass
500.27
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
Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers N-acyl amines Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Iodoalkenes Carboxylic acids and derivatives Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Alkyl aryl ether - N-acyl-amine - Organic nitro compound - C-nitro compound - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen compound - Aromatic homomonocyclic 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