Compound Identification
SMILES
COC1=C(NC(=O)CC2SCC(NC2=O)C(O)=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=GRJRUBAQGHMNCR-UHFFFAOYSA-N
Formula
C14H15N3O7S
Mass
369.35
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acids and derivatives Thiomorpholine carboxylic acids and derivatives Methoxyanilines Anilides Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids Organic oxoazanium compounds Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - Thiomorpholine-3-carboxylic acid - Anilide - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - N-arylamide - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - 1,4-thiazinane - C-nitro compound - Lactam - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thioether - Dialkylthioether - Carboxylic acid - Ether - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Carbonyl group - Organic cation - 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