ethyl (2R,3S)-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenyl-butanoate

Systemtic Name: ethyl (2R,3S)-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenyl-butanoate Openeye Name: ethyl (2R,3S)-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenyl-butanoate CAS Name: (2R,3S)-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoate Traditional Name: (2R,3S)-2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenyl-butyric acid ethyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C2(OCCO2)C

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C[N+](=O)[O-])C1=CC=CC=C1)C2(OCCO2)C

InChI

InChI=1S/C16H21NO6/c1-3-21-15(18)14(16(2)22-9-10-23-16)13(11-17(19)20)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-,14+/m1/s1