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

Systemtic Name: 4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-ethoxy-1,2-oxazole-5-carboxylic acid Openeye Name: 4-(2-amino-3-hydroxy-3-oxo-propyl)-3-ethoxy-isoxazole-5-carboxylic acid CAS Name: 4-(2-amino-3-hydroxy-3-oxopropyl)-3-ethoxy-5-isoxazolecarboxylic acid IUPAC Name: 4-(2-amino-3-hydroxy-3-oxopropyl)-3-ethoxy-1,2-oxazole-5-carboxylic acid Traditional Name: 4-(2-amino-3-hydroxy-3-keto-propyl)-3-ethoxy-isoxazole-5-carboxylic acid Formula: C9H12N2O6 MolecularWeight: 244.20138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NOC(=C1CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CCOC1=NOC(=C1CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H12N2O6/c1-2-16-7-4(3-5(10)8(12)13)6(9(14)15)17-11-7/h5H,2-3,10H2,1H3,(H,12,13)(H,14,15)