(2S)-2-[(2R,3E)-3-(nitromethylidene)-2-oxidanyl-pentan-2-yl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(2R,3E)-3-(nitromethylidene)-2-oxidanyl-pentan-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(1R,2E)-1-hydroxy-1-methyl-2-(nitromethylene)butyl]cyclohexanone CAS Name: (2S)-2-[(2R,3E)-2-hydroxy-3-(nitromethylidene)pentan-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(2R,3E)-2-hydroxy-3-(nitromethylidene)pentan-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1R)-2-ethyl-1-hydroxy-1-methyl-3-nitro-allyl]cyclohexanone Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-3-9(8-13(16)17)12(2,15)10-6-4-5-7-11(10)14/h8,10,15H,3-7H2,1-2H3/b9-8+/t10-,12+/m1/s1