methyl 1,4-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)azetidin-1-ium-2-carboxylate

Systemtic Name: methyl 1,4-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)azetidin-1-ium-2-carboxylate Openeye Name: methyl 3-(benzyloxycarbonylamino)-1,4-dioxo-azetidin-1-ium-2-carboxylate CAS Name: 1,4-dioxo-3-(phenylmethoxycarbonylamino)-2-azetidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1,4-dioxo-3-(phenylmethoxycarbonylamino)azetidin-1-ium-2-carboxylate Traditional Name: 3-(benzyloxycarbonylamino)-1,4-diketo-azetidin-1-ium-2-carboxylic acid methyl ester Formula: C13H13N2O6+ MolecularWeight: 293.25212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)[N+]1=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C(C(=O)[N+]1=O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O6/c1-20-12(17)10-9(11(16)15(10)19)14-13(18)21-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/p+1