Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)[C@@H](N=C(NC#N)NC2=CC(=CC=C2)[N+]([O-])=O)[C@@H]1O
InChIKey
InChIKey=FBLWKYWZJNCUGD-MSOLQXFVSA-N
Formula
C20H18N6O4
Mass
406.402
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2,2-dimethyl-1-benzopyrans
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Carboximidamides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Guanidine - C-nitro compound - Secondary alcohol - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Ether - Carboximidamide - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organooxygen compound - Alcohol - Organic oxide - Organic zwitterion - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available