(phenylmethyl) (2S,3S)-6-ethyl-3-nitro-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-6-ethyl-3-nitro-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate Openeye Name: benzyl (2S,3S)-6-ethyl-3-nitro-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate CAS Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-6-ethyl-3-nitro-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate Traditional Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylic acid benzyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC[C@@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-2-18-13-14-19(23(25)26)20(17-11-7-4-8-12-17)22(18)21(24)27-15-16-9-5-3-6-10-16/h3-13,19-20H,2,14-15H2,1H3/t19-,20-/m0/s1