Compound Identification
SMILES
COC1=CC(=C(NC(=S)N2CCC3=C(C2)SC2=C3C(=NC(OC=O)C(=O)N2CCC2=CC=CC=C2)C2=CC=CC=C2C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WCMDUBMHRCWZLP-UHFFFAOYSA-N
Formula
C34H31N5O6S2
Mass
669.77
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
Thienodiazepines N-phenylthioureas Alpha amino acids and derivatives Methoxyanilines Methoxybenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Toluenes 1,4-diazepines Alkyl aryl ethers Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Ketimines Lactams Thioureas Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - N-phenylthiourea - Thieno-para-diazepine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Para-diazepine - Toluene - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Ketimine - Lactam - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxide - Imine - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic zwitterion - 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