4-nitro-3-oxidanyl-5-phenyl-cyclohexan-1-one

Systemtic Name: 4-nitro-3-oxidanyl-5-phenyl-cyclohexan-1-one Openeye Name: 3-hydroxy-4-nitro-5-phenyl-cyclohexanone CAS Name: 3-hydroxy-4-nitro-5-phenyl-1-cyclohexanone IUPAC Name: 3-hydroxy-4-nitro-5-phenylcyclohexan-1-one Traditional Name: 3-hydroxy-4-nitro-5-phenyl-cyclohexanone Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1=O)O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1C(C(C(CC1=O)O)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C12H13NO4/c14-9-6-10(8-4-2-1-3-5-8)12(13(16)17)11(15)7-9/h1-5,10-12,15H,6-7H2