Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1OC2=C(C=C(Br)C=C2)C2CC(=NN12)C1=CC(OC)=CC=C1
InChIKey
InChIKey=QVIHGSZIEQLLCA-UHFFFAOYSA-N
Formula
C25H21BrN2O4
Mass
493.357
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazines
Alternative Parents
Benzoic acid esters Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aryl bromides Methyl esters Pyrazolines Monocarboxylic acids and derivatives Hydrazones Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoxazine - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Pyrazoline - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors
Not available