ethyl 3-(nitromethyl)-4-oxidanylidene-3-propyl-hexanoate

Systemtic Name: ethyl 3-(nitromethyl)-4-oxidanylidene-3-propyl-hexanoate Openeye Name: ethyl 3-(nitromethyl)-4-oxo-3-propyl-hexanoate CAS Name: 3-(nitromethyl)-4-oxo-3-propylhexanoic acid ethyl ester IUPAC Name: ethyl 3-(nitromethyl)-4-oxo-3-propylhexanoate Traditional Name: 4-keto-3-(nitromethyl)-3-propyl-hexanoic acid ethyl ester Formula: C12H21NO5 MolecularWeight: 259.29884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO5/c1-4-7-12(9-13(16)17,10(14)5-2)8-11(15)18-6-3/h4-9H2,1-3H3