2-nitro-2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one

Systemtic Name: 2-nitro-2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one Openeye Name: 2-[(E)-cinnamyl]-2-nitro-cyclohexanone CAS Name: 2-nitro-2-[(E)-3-phenylprop-2-enyl]-1-cyclohexanone IUPAC Name: 2-nitro-2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one Traditional Name: 2-[(E)-cinnamyl]-2-nitro-cyclohexanone Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(=O)C1)(C/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17NO3/c17-14-10-4-5-11-15(14,16(18)19)12-6-9-13-7-2-1-3-8-13/h1-3,6-9H,4-5,10-12H2/b9-6+