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

Systemtic Name: methyl 3-[(E)-1-nitroprop-1-en-2-yl]-3-oxidanyl-octanoate Openeye Name: methyl 3-hydroxy-3-[(E)-1-methyl-2-nitro-vinyl]octanoate CAS Name: 3-hydroxy-3-[(E)-1-nitroprop-1-en-2-yl]octanoic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H21NO5 MolecularWeight: 259.29884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO5/c1-4-5-6-7-12(15,8-11(14)18-3)10(2)9-13(16)17/h9,15H,4-8H2,1-3H3/b10-9+