methyl (5S,6S)-6-ethyl-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-oxazinane-5-carboxylate

Systemtic Name: methyl (5S,6S)-6-ethyl-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-oxazinane-5-carboxylate Openeye Name: methyl (5S,6S)-3-benzyl-6-ethyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylate CAS Name: (5S,6S)-6-ethyl-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-oxazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6S)-3-benzyl-6-ethyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylate Traditional Name: (5S,6S)-3-benzyl-6-ethyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CN(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC[C@H]1[C@H](CN(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-3-19-18(21(24)27-2)14-22(13-15-7-5-4-6-8-15)20(28-19)16-9-11-17(12-10-16)23(25)26/h4-12,18-20H,3,13-14H2,1-2H3/t18-,19-,20?/m0/s1