Compound Identification
SMILES
OC(=O)\C=C\C([O-])=O.CCCC(=O)N1CCOC2=C1C=CC(OCC(O)C[NH2+]C(C)C)=C2
InChIKey
InChIKey=MXDDCVSFRDGAIJ-WLHGVMLRSA-N
Formula
C22H32N2O8
Mass
452.504
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
Benzomorpholines Phenol ethers Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Quaternary ammonium salts 1,2-aminoalcohols Carboxylic acid salts Amino acids and derivatives Secondary alcohols Oxacyclic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzomorpholine - Benzoxazine - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Oxazinane - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Carboxylic acid salt - 1,2-aminoalcohol - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Ether - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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