Compound Identification
SMILES
CSC1=NC2(CC(C)(C)OC3=C2C=C(C=C3)[N+]([O-])=O)C(=O)N1
InChIKey
InChIKey=AHMYTNCGRFLEGX-UHFFFAOYSA-N
Formula
C14H15N3O4S
Mass
321.35
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
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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
Alpha amino acids and derivatives Nitroaromatic compounds Alkyl aryl ethers Imidazolinones Benzenoids Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alpha-amino acid or derivatives - Nitroaromatic compound - Alkyl aryl ether - Imidazolinone - Benzenoid - 2-imidazoline - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxoazanium - Carboximidamide - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - 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