Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)C(=C1)N1C=CC(CBr)=CC1=O.CC1(C)OC2=C(C=C(C=C2)C#N)C(=C1)N1C=CC(CO[N+]([O-])=O)=CC1=O
InChIKey
InChIKey=AZCNZUAMVFCVLW-UHFFFAOYSA-N
Formula
C36H30BrN5O7
Mass
724.568
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
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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
Pyridinones Alkyl aryl ethers Dihydropyridines Benzenoids Alkyl nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Nitriles Organic oxides Organic salts Alkyl bromides Hydrocarbon derivatives Organobromides Organic cations
Molecular Framework
Not available
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Dihydropyridine - Pyridinone - Hydropyridine - Pyridine - Benzenoid - Organic nitrate - Heteroaromatic compound - Alkyl nitrate - Lactam - Organic nitric acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Ether - Carbonitrile - Nitrile - Organic salt - Alkyl halide - Organobromide - Alkyl bromide - Organic oxide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Organic cation - 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