5-[(E)-1-nitroprop-1-en-2-yl]-5-oxidanyl-decan-3-one

Systemtic Name: 5-[(E)-1-nitroprop-1-en-2-yl]-5-oxidanyl-decan-3-one Openeye Name: 5-hydroxy-5-[(E)-1-methyl-2-nitro-vinyl]decan-3-one CAS Name: 5-hydroxy-5-[(E)-1-nitroprop-1-en-2-yl]-3-decanone IUPAC Name: 5-hydroxy-5-[(E)-1-nitroprop-1-en-2-yl]decan-3-one Traditional Name: (E)-5-amyl-5-hydroxy-6-methyl-7-nitro-hept-6-en-3-one Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO4/c1-4-6-7-8-13(16,9-12(15)5-2)11(3)10-14(17)18/h10,16H,4-9H2,1-3H3/b11-10+