ethyl (E,3S,4R)-3-acetyloxy-4-[(4-nitrophenyl)methyl]-6-phenyl-hex-5-enoate

Systemtic Name: ethyl (E,3S,4R)-3-acetyloxy-4-[(4-nitrophenyl)methyl]-6-phenyl-hex-5-enoate Openeye Name: ethyl (E,3S,4R)-3-acetoxy-4-[(4-nitrophenyl)methyl]-6-phenyl-hex-5-enoate CAS Name: (E,3S,4R)-3-acetyloxy-4-[(4-nitrophenyl)methyl]-6-phenyl-5-hexenoic acid ethyl ester IUPAC Name: ethyl (E,3S,4R)-3-acetyloxy-4-[(4-nitrophenyl)methyl]-6-phenylhex-5-enoate Traditional Name: (E,3S,4R)-3-acetoxy-4-(4-nitrobenzyl)-6-phenyl-hex-5-enoic acid ethyl ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC1=CC=C(C=C1)[N+](=O)[O-])C=CC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCOC(=O)C[C@@H]([C@H](CC1=CC=C(C=C1)[N+](=O)[O-])/C=C/C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C23H25NO6/c1-3-29-23(26)16-22(30-17(2)25)20(12-9-18-7-5-4-6-8-18)15-19-10-13-21(14-11-19)24(27)28/h4-14,20,22H,3,15-16H2,1-2H3/b12-9+/t20-,22-/m0/s1