(phenylmethyl) (4S,5R)-4-(2-methylpropyl)-5-(4-nitrophenyl)carbonyloxy-6-oxidanylidene-1,3-oxazinane-3-carboxylate

Systemtic Name: (phenylmethyl) (4S,5R)-4-(2-methylpropyl)-5-(4-nitrophenyl)carbonyloxy-6-oxidanylidene-1,3-oxazinane-3-carboxylate Openeye Name: benzyl (4S,5R)-4-isobutyl-5-(4-nitrobenzoyl)oxy-6-oxo-1,3-oxazinane-3-carboxylate CAS Name: (4S,5R)-4-(2-methylpropyl)-5-[(4-nitrophenyl)-oxomethoxy]-6-oxo-1,3-oxazinane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,5R)-4-(2-methylpropyl)-5-(4-nitrobenzoyl)oxy-6-oxo-1,3-oxazinane-3-carboxylate Traditional Name: (4S,5R)-4-isobutyl-6-keto-5-(4-nitrobenzoyl)oxy-1,3-oxazinane-3-carboxylic acid benzyl ester Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(C(=O)OCN1C(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H]1[C@H](C(=O)OCN1C(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O8/c1-15(2)12-19-20(33-21(26)17-8-10-18(11-9-17)25(29)30)22(27)32-14-24(19)23(28)31-13-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3/t19-,20+/m0/s1