ethyl 3-[(E)-1-nitroprop-1-en-2-yl]-3-oxidanyl-octanoate

Systemtic Name: ethyl 3-[(E)-1-nitroprop-1-en-2-yl]-3-oxidanyl-octanoate Openeye Name: ethyl 3-hydroxy-3-[(E)-1-methyl-2-nitro-vinyl]octanoate CAS Name: 3-hydroxy-3-[(E)-1-nitroprop-1-en-2-yl]octanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-[(E)-1-nitroprop-1-en-2-yl]octanoate Traditional Name: (E)-3-amyl-3-hydroxy-4-methyl-5-nitro-pent-4-enoic acid ethyl ester Formula: C13H23NO5 MolecularWeight: 273.32542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO5/c1-4-6-7-8-13(16,9-12(15)19-5-2)11(3)10-14(17)18/h10,16H,4-9H2,1-3H3/b11-10+