(phenylmethyl) 3-(4-nitrophenyl)-5-oxidanylidene-6-(phenylmethyl)-1,2,4-oxadiazinane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-nitrophenyl)-5-oxidanylidene-6-(phenylmethyl)-1,2,4-oxadiazinane-2-carboxylate Openeye Name: benzyl 6-benzyl-3-(4-nitrophenyl)-5-oxo-1,2,4-oxadiazinane-2-carboxylate CAS Name: 3-(4-nitrophenyl)-5-oxo-6-(phenylmethyl)-1,2,4-oxadiazinane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-benzyl-3-(4-nitrophenyl)-5-oxo-1,2,4-oxadiazinane-2-carboxylate Traditional Name: 6-benzyl-5-keto-3-(4-nitrophenyl)-1,2,4-oxadiazinane-2-carboxylic acid benzyl ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(N(O2)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC(N(O2)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O6/c28-23-21(15-17-7-3-1-4-8-17)33-26(24(29)32-16-18-9-5-2-6-10-18)22(25-23)19-11-13-20(14-12-19)27(30)31/h1-14,21-22H,15-16H2,(H,25,28)