Compound Identification
SMILES
COC1=C(C=C(CSC2=NC3=C(S2)C=C(C=C3)N=CC2=CC=C(Br)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KIJVZTSMNHEBNC-UHFFFAOYSA-N
Formula
C22H16BrN3O3S2
Mass
514.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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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
Benzothiazoles Methoxyanilines Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thiazoles Shiff bases Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - 1,3-benzothiazole - Methoxyaniline - Phenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Bromobenzene - Aryl bromide - Aryl halide - Thiazole - Heteroaromatic compound - Azole - C-nitro compound - Shiff base - Organic nitro compound - Aldimine - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Imine - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic 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