Compound Identification
SMILES
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1=CC(OC)=C(OCC2=CC=CC=C2C#N)C(I)=C1
InChIKey
InChIKey=HNOKQLBFXCESCM-UHFFFAOYSA-N
Formula
C25H22IN3O5
Mass
571.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Iodobenzenes Pyrans Aryl iodides Vinylogous esters Enoate esters Ketene acetals Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Pyran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Primary aliphatic amine - Organohalogen compound - Organic nitrogen compound - Organoiodide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available