Compound Identification
SMILES
CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1\[N+]([O-])=C\C1=CC=C(C=C1)C#N
InChIKey
InChIKey=DCRXWDRNWSCHKY-OLUDVYBYSA-N
Formula
C20H24N2O6
Mass
388.42
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
Ketals Oxolanes 1,3-dioxolanes Shiff bases Nitrones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Ketal - Meta-dioxolane - Oxolane - Nitrone - Shiff base - Acetal - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organic oxide - Cyanide - Organooxygen compound - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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