(6S)-3-ethyl-6-[[(4-nitrophenyl)methyl-(phenylmethyl)amino]methyl]-1,3-oxazinan-2-one

Systemtic Name: (6S)-3-ethyl-6-[[(4-nitrophenyl)methyl-(phenylmethyl)amino]methyl]-1,3-oxazinan-2-one Openeye Name: (6S)-6-[[benzyl-[(4-nitrophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one CAS Name: (6S)-3-ethyl-6-[[(4-nitrophenyl)methyl-(phenylmethyl)amino]methyl]-1,3-oxazinan-2-one IUPAC Name: (6S)-6-[[benzyl-[(4-nitrophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one Traditional Name: (6S)-6-[[benzyl-(4-nitrobenzyl)amino]methyl]-3-ethyl-1,3-oxazinan-2-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(OC1=O)CN(CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CC[C@H](OC1=O)CN(CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-2-23-13-12-20(28-21(23)25)16-22(14-17-6-4-3-5-7-17)15-18-8-10-19(11-9-18)24(26)27/h3-11,20H,2,12-16H2,1H3/t20-/m0/s1