(2S,6E)-2-methyl-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one

Systemtic Name: (2S,6E)-2-methyl-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one Openeye Name: (2S,6E)-2-methyl-6-[(3-nitrophenyl)methylene]cyclohexanone CAS Name: (2S,6E)-2-methyl-6-[(3-nitrophenyl)methylidene]-1-cyclohexanone IUPAC Name: (2S,6E)-2-methyl-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one Traditional Name: (2S,6E)-2-methyl-6-(3-nitrobenzylidene)cyclohexanone Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=CC=C2)[N+](=O)[O-])C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C14H15NO3/c1-10-4-2-6-12(14(10)16)8-11-5-3-7-13(9-11)15(17)18/h3,5,7-10H,2,4,6H2,1H3/b12-8+/t10-/m0/s1