(phenylmethyl) 5-oxidanylidene-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazinane-2-carboxylate

Systemtic Name: (phenylmethyl) 5-oxidanylidene-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazinane-2-carboxylate Openeye Name: benzyl 5-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazinane-2-carboxylate CAS Name: 5-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazinane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazinane-2-carboxylate Traditional Name: 5-keto-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazinane-2-carboxylic acid benzyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2NC(=O)CON2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2NC(=O)CON2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O7/c1-25-15-9-14(10-16(26-2)18(15)27-3)19-21-17(23)12-29-22(19)20(24)28-11-13-7-5-4-6-8-13/h4-10,19H,11-12H2,1-3H3,(H,21,23)