Compound Identification
SMILES
[O-][N+](=O)C1=CC(C=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC(Br)=C3)=C(OCC(=O)NC2=NC=CS2)C=C1
InChIKey
InChIKey=DXGGBKOXAXIUEF-UHFFFAOYSA-N
Formula
C26H14BrN5O6S2
Mass
636.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Nitrophenyl ethers 1-benzopyrans Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Lactones Secondary carboxylic acid amides Nitriles Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - N-arylamide - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Aryl halide - Aryl bromide - Benzenoid - Pyran - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Carboxamide group - Lactone - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Ether - Nitrile - Carbonitrile - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Cyanide - Organooxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available