Compound Identification
SMILES
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC1=NC(=CS1)C1=CC=C(Br)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VDKDBKZPTKJJJD-UHFFFAOYSA-N
Formula
C19H15BrN4O4S2
Mass
507.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
-
Subclass
Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Benzoic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Thioureas Organic oxoazanium compounds Carboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available