Compound Identification
SMILES
COC1=CC2=C(C=CC(C)(C)O2)C(NC2=C(C=CC=C2[N+]([O-])=O)C(O)=O)=C1
InChIKey
InChIKey=VPLZZIKXVMZLJU-UHFFFAOYSA-N
Formula
C19H18N2O6
Mass
370.361
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
-
Subclass
1-benzopyrans
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Level 5
2,2-dimethyl-1-benzopyrans
- Level 6 Precocenes
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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
2,2-dimethyl-1-benzopyrans
Direct Parent
Precocenes
Alternative Parents
Nitrobenzoic acids and derivatives Aminobenzoic acids Benzoic acids Methoxyanilines Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Primary aromatic amines Vinylogous amides Amino acids Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Secondary amines Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Precocene - Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Methoxyaniline - Nitroaromatic compound - Anisole - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Vinylogous amide - Organic nitro compound - Amino acid - C-nitro compound - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as precocenes. These are aromatic heteropolycyclic compounds that contain a 2,2-dimethyl-1-benzopyran moiety, which carries a methoxy group at the ring 7-position.
External Descriptors
Not available