propan-2-yl 3-(nitromethyl)-4-oxidanylidene-3-propyl-hexanoate

Systemtic Name: propan-2-yl 3-(nitromethyl)-4-oxidanylidene-3-propyl-hexanoate Openeye Name: isopropyl 3-(nitromethyl)-4-oxo-3-propyl-hexanoate CAS Name: 3-(nitromethyl)-4-oxo-3-propylhexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(nitromethyl)-4-oxo-3-propylhexanoate Traditional Name: 4-keto-3-(nitromethyl)-3-propyl-hexanoic acid isopropyl ester Formula: C13H23NO5 MolecularWeight: 273.32542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO5/c1-5-7-13(9-14(17)18,11(15)6-2)8-12(16)19-10(3)4/h10H,5-9H2,1-4H3