4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-pentoxy-1,2-oxazole-5-carboxylic acid

Systemtic Name: 4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-pentoxy-1,2-oxazole-5-carboxylic acid Openeye Name: 4-(2-amino-3-hydroxy-3-oxo-propyl)-3-pentoxy-isoxazole-5-carboxylic acid CAS Name: 4-(2-amino-3-hydroxy-3-oxopropyl)-3-pentoxy-5-isoxazolecarboxylic acid IUPAC Name: 4-(2-amino-3-hydroxy-3-oxopropyl)-3-pentoxy-1,2-oxazole-5-carboxylic acid Traditional Name: 4-(2-amino-3-hydroxy-3-keto-propyl)-3-amoxy-isoxazole-5-carboxylic acid Formula: C12H18N2O6 MolecularWeight: 286.28112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NOC(=C1CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCOC1=NOC(=C1CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H18N2O6/c1-2-3-4-5-19-10-7(6-8(13)11(15)16)9(12(17)18)20-14-10/h8H,2-6,13H2,1H3,(H,15,16)(H,17,18)