3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propanoic acid CAS Name: 3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propionic acid Formula: C12H13NO6 MolecularWeight: 267.23472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H13NO6/c1-18-11(16)9(10(14)15)13-12(17)19-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)(H,14,15)