tert-butyl (E,2S)-2-[(1R,2R)-2-nitro-1-phenyl-propyl]-3-oxidanylidene-hex-4-enoate

Systemtic Name: tert-butyl (E,2S)-2-[(1R,2R)-2-nitro-1-phenyl-propyl]-3-oxidanylidene-hex-4-enoate Openeye Name: tert-butyl (E,2S)-2-[(1R,2R)-2-nitro-1-phenyl-propyl]-3-oxo-hex-4-enoate CAS Name: (E,2S)-2-[(1R,2R)-2-nitro-1-phenylpropyl]-3-oxo-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S)-2-[(1R,2R)-2-nitro-1-phenylpropyl]-3-oxohex-4-enoate Traditional Name: (E,2S)-3-keto-2-[(1R,2R)-2-nitro-1-phenyl-propyl]hex-4-enoic acid tert-butyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(C(C1=CC=CC=C1)C(C)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-6-10-15(21)17(18(22)25-19(3,4)5)16(13(2)20(23)24)14-11-8-7-9-12-14/h6-13,16-17H,1-5H3/b10-6+/t13-,16+,17-/m1/s1