4-[2-oxidanyl-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-oxidanyl-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperazine-1-carboxylic acid CAS Name: 4-[2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]piperazine-1-carboxylic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC3=C(C=C2)OCC(=O)N3)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(C2=CC3=C(C=C2)OCC(=O)N3)O)C(=O)O

InChI

InChI=1S/C15H19N3O5/c19-12(8-17-3-5-18(6-4-17)15(21)22)10-1-2-13-11(7-10)16-14(20)9-23-13/h1-2,7,12,19H,3-6,8-9H2,(H,16,20)(H,21,22)