(2S)-2-[(2S)-4-methyl-1-nitro-pentan-2-yl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(2S)-4-methyl-1-nitro-pentan-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(1S)-3-methyl-1-(nitromethyl)butyl]cyclohexanone CAS Name: (2S)-2-[(2S)-4-methyl-1-nitropentan-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(2S)-4-methyl-1-nitropentan-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(1S)-3-methyl-1-(nitromethyl)butyl]cyclohexanone Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO3/c1-9(2)7-10(8-13(15)16)11-5-3-4-6-12(11)14/h9-11H,3-8H2,1-2H3/t10-,11+/m1/s1