methyl (E,6E)-6-(methoxymethylidene)-12-nitro-11-oxidanyl-tridec-2-enoate

Systemtic Name: methyl (E,6E)-6-(methoxymethylidene)-12-nitro-11-oxidanyl-tridec-2-enoate Openeye Name: methyl (E,6E)-11-hydroxy-6-(methoxymethylene)-12-nitro-tridec-2-enoate CAS Name: (E,6E)-11-hydroxy-6-(methoxymethylidene)-12-nitro-2-tridecenoic acid methyl ester IUPAC Name: methyl (E,6E)-11-hydroxy-6-(methoxymethylidene)-12-nitrotridec-2-enoate Traditional Name: (2E,6E)-6-(5-hydroxy-6-nitro-heptyl)-7-methoxy-hepta-2,6-dienoic acid methyl ester Formula: C16H27NO6 MolecularWeight: 329.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCC(=COC)CCC=CC(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO6/c1-13(17(20)21)15(18)10-6-4-8-14(12-22-2)9-5-7-11-16(19)23-3/h7,11-13,15,18H,4-6,8-10H2,1-3H3/b11-7+,14-12+