2-(2-nitro-3-oxidanyl-cyclohexyl)-1-phenyl-ethanone

Systemtic Name: 2-(2-nitro-3-oxidanyl-cyclohexyl)-1-phenyl-ethanone Openeye Name: 2-(3-hydroxy-2-nitro-cyclohexyl)-1-phenyl-ethanone CAS Name: 2-(3-hydroxy-2-nitrocyclohexyl)-1-phenylethanone IUPAC Name: 2-(3-hydroxy-2-nitrocyclohexyl)-1-phenylethanone Traditional Name: 2-(3-hydroxy-2-nitro-cyclohexyl)-1-phenyl-ethanone Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)O)[N+](=O)[O-])CC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC(C(C(C1)O)[N+](=O)[O-])CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO4/c16-12-8-4-7-11(14(12)15(18)19)9-13(17)10-5-2-1-3-6-10/h1-3,5-6,11-12,14,16H,4,7-9H2