Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C#N)=C(CC(=O)C(=CC2=CC=C(O2)C2=C(C=C(OC)C=C2)[N+]([O-])=O)C#N)S1
InChIKey
InChIKey=CMGUNXGDSMDQDL-UHFFFAOYSA-N
Formula
C25H19N3O7S
Mass
505.5
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
Methoxyanilines Thiophene carboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Furans Heteroaromatic compounds Ketones Carboxylic acid esters Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Nitriles Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Thiophene carboxylic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Thiophene - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Furan - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Ketone - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Aldehyde - Organic zwitterion - Hydrocarbon derivative - 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