(2S,3S)-3-acetyloxy-5-ethoxy-2-[(4-nitrophenyl)methyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S,3S)-3-acetyloxy-5-ethoxy-2-[(4-nitrophenyl)methyl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S,3S)-3-acetoxy-5-ethoxy-2-[(4-nitrophenyl)methyl]-5-oxo-pentanoic acid CAS Name: (2S,3S)-3-acetyloxy-5-ethoxy-2-[(4-nitrophenyl)methyl]-5-oxopentanoic acid IUPAC Name: (2S,3S)-3-acetyloxy-5-ethoxy-2-[(4-nitrophenyl)methyl]-5-oxopentanoic acid Traditional Name: (2S,3S)-3-acetoxy-5-ethoxy-5-keto-2-(4-nitrobenzyl)valeric acid Formula: C16H19NO8 MolecularWeight: 353.32396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO8/c1-3-24-15(19)9-14(25-10(2)18)13(16(20)21)8-11-4-6-12(7-5-11)17(22)23/h4-7,13-14H,3,8-9H2,1-2H3,(H,20,21)/t13-,14-/m0/s1