3-[5-(2-nitro-1-phenyl-ethyl)-1H-pyrrol-2-yl]cyclohexan-1-one

Systemtic Name: 3-[5-(2-nitro-1-phenyl-ethyl)-1H-pyrrol-2-yl]cyclohexan-1-one Openeye Name: 3-[5-(2-nitro-1-phenyl-ethyl)-1H-pyrrol-2-yl]cyclohexanone CAS Name: 3-[5-(2-nitro-1-phenylethyl)-1H-pyrrol-2-yl]-1-cyclohexanone IUPAC Name: 3-[5-(2-nitro-1-phenylethyl)-1H-pyrrol-2-yl]cyclohexan-1-one Traditional Name: 3-[5-(2-nitro-1-phenyl-ethyl)-1H-pyrrol-2-yl]cyclohexanone Formula: C18H20N2O3 MolecularWeight: 312.363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)C2=CC=C(N2)C(C[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CC(CC(=O)C1)C2=CC=C(N2)C(C[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3/c21-15-8-4-7-14(11-15)17-9-10-18(19-17)16(12-20(22)23)13-5-2-1-3-6-13/h1-3,5-6,9-10,14,16,19H,4,7-8,11-12H2