tert-butyl (3R)-3-[(1R)-2-nitro-1-phenyl-ethyl]-2-oxidanylidene-hex-5-enoate

Systemtic Name: tert-butyl (3R)-3-[(1R)-2-nitro-1-phenyl-ethyl]-2-oxidanylidene-hex-5-enoate Openeye Name: tert-butyl (3R)-3-[(1R)-2-nitro-1-phenyl-ethyl]-2-oxo-hex-5-enoate CAS Name: (3R)-3-[(1R)-2-nitro-1-phenylethyl]-2-oxo-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(1R)-2-nitro-1-phenylethyl]-2-oxohex-5-enoate Traditional Name: (3R)-2-keto-3-[(1R)-2-nitro-1-phenyl-ethyl]hex-5-enoic acid tert-butyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-5-9-14(16(20)17(21)24-18(2,3)4)15(12-19(22)23)13-10-7-6-8-11-13/h5-8,10-11,14-15H,1,9,12H2,2-4H3/t14-,15+/m1/s1