Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C1=NC2=C(O1)C=CC(N\C=C1/C(=O)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)=C2
InChIKey
InChIKey=WREYMYNVAFLQOJ-UVTDQMKNSA-N
Formula
C21H13BrN4O7
Mass
513.26
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxazoles
- Level 5 Phenyl-1,3-oxazoles
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Subclass
Oxazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
Benzoxazoles Anisoles Methoxybenzenes O-quinomethanes Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous amides Heteroaromatic compounds C-nitro compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Enamines Organic oxoazanium compounds Allylamines Organic zwitterions Organic salts Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,3-oxazole - Benzoxazole - Quinomethane - Phenol ether - Methoxybenzene - O-quinomethane - Phenoxy compound - Anisole - Bromobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Allylamine - Oxacycle - Enamine - Ether - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Aldehyde - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organohalogen compound - Organic zwitterion - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
External Descriptors
Not available