(4S)-5-methyl-5-nitro-4-pyridin-2-yl-hexan-2-one

Systemtic Name: (4S)-5-methyl-5-nitro-4-pyridin-2-yl-hexan-2-one Openeye Name: (4S)-5-methyl-5-nitro-4-(2-pyridyl)hexan-2-one CAS Name: (4S)-5-methyl-5-nitro-4-(2-pyridinyl)-2-hexanone IUPAC Name: (4S)-5-methyl-5-nitro-4-pyridin-2-ylhexan-2-one Traditional Name: (4S)-5-methyl-5-nitro-4-(2-pyridyl)hexan-2-one Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=N1)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C[C@@H](C1=CC=CC=N1)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3/c1-9(15)8-10(12(2,3)14(16)17)11-6-4-5-7-13-11/h4-7,10H,8H2,1-3H3/t10-/m0/s1