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

Systemtic Name: propan-2-yl 3-[(E)-1-nitroprop-1-en-2-yl]-3-oxidanyl-octanoate Openeye Name: isopropyl 3-hydroxy-3-[(E)-1-methyl-2-nitro-vinyl]octanoate CAS Name: 3-hydroxy-3-[(E)-1-nitroprop-1-en-2-yl]octanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C14H25NO5 MolecularWeight: 287.352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO5/c1-5-6-7-8-14(17,12(4)10-15(18)19)9-13(16)20-11(2)3/h10-11,17H,5-9H2,1-4H3/b12-10+