[(1S)-3-ethoxy-1-(4-nitrophenyl)-3-oxidanylidene-propyl] butanoate

Systemtic Name: [(1S)-3-ethoxy-1-(4-nitrophenyl)-3-oxidanylidene-propyl] butanoate Openeye Name: [(1S)-3-ethoxy-1-(4-nitrophenyl)-3-oxo-propyl] butanoate CAS Name: butanoic acid [(1S)-3-ethoxy-1-(4-nitrophenyl)-3-oxopropyl] ester IUPAC Name: [(1S)-3-ethoxy-1-(4-nitrophenyl)-3-oxopropyl] butanoate Traditional Name: butyric acid [(1S)-3-ethoxy-3-keto-1-(4-nitrophenyl)propyl] ester Formula: C15H19NO6 MolecularWeight: 309.31446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6/c1-3-5-14(17)22-13(10-15(18)21-4-2)11-6-8-12(9-7-11)16(19)20/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1