Compound Identification
SMILES
COC1=CC(=C(NC(=O)COC(=O)C2=CC3=CC=CC=C3S2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=BYAKCMZUNJAJCD-UHFFFAOYSA-N
Formula
C18H14N2O6S
Mass
386.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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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
1-benzothiophenes Methoxyanilines Anilides Thiophene carboxylic acids and derivatives Phenoxy compounds 2,3,5-trisubstituted thiophenes Nitroaromatic compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzothiophene - 1-benzothiophene - Methoxyaniline - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Thiophene carboxylic acid or derivatives - Methoxybenzene - N-arylamide - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxide - 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