(2S)-2-[(E,2R)-3-methyl-4-nitro-2-oxidanyl-but-3-en-2-yl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(E,2R)-3-methyl-4-nitro-2-oxidanyl-but-3-en-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(E,1R)-1-hydroxy-1,2-dimethyl-3-nitro-allyl]cyclohexanone CAS Name: (2S)-2-[(E,2R)-2-hydroxy-3-methyl-4-nitrobut-3-en-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(E,2R)-2-hydroxy-3-methyl-4-nitrobut-3-en-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1R)-1-hydroxy-1,2-dimethyl-3-nitro-allyl]cyclohexanone Formula: C11H17NO4 MolecularWeight: 227.25698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C[N+](=O)[O-])C(C)(C1CCCCC1=O)O

Isomeric SMILES

C/C(=C\[N+](=O)[O-])/[C@@](C)([C@@H]1CCCCC1=O)O

InChI

InChI=1S/C11H17NO4/c1-8(7-12(15)16)11(2,14)9-5-3-4-6-10(9)13/h7,9,14H,3-6H2,1-2H3/b8-7+/t9-,11+/m1/s1