Compound Identification
SMILES
COC1=C2C=CC(C)(C)OC2=C(C=C1)C(=O)\C=C\C1=C2C=CN(CC3=CC(Br)=CC=C3)C2=CC=C1
InChIKey
InChIKey=ILEMWQHFKIKOQC-ZRDIBKRKSA-N
Formula
C30H26BrNO3
Mass
528.446
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
Cinnamic acids and derivatives N-alkylindoles Indoles Styrenes Anisoles Aryl ketones Alkyl aryl ethers Bromobenzenes Substituted pyrroles Aryl bromides Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Oxacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 2,2-dimethyl-1-benzopyran - N-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Styrene - Aryl ketone - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Acryloyl-group - Pyrrole - Alpha,beta-unsaturated ketone - Enone - Ketone - Oxacycle - Azacycle - Ether - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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