2,2-bis[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione

Systemtic Name: 2,2-bis[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione Openeye Name: 2,2-bis[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-dione CAS Name: 2,2-bis[1-(1H-indol-3-yl)-2-nitroethyl]cyclohexane-1,3-dione IUPAC Name: 2,2-bis[1-(1H-indol-3-yl)-2-nitroethyl]cyclohexane-1,3-dione Traditional Name: 2,2-bis[1-(1H-indol-3-yl)-2-nitro-ethyl]cyclohexane-1,3-quinone Formula: C26H24N4O6 MolecularWeight: 488.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)(C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)C(C[N+](=O)[O-])C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CC(=O)C(C(=O)C1)(C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)C(C[N+](=O)[O-])C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H24N4O6/c31-24-10-5-11-25(32)26(24,20(14-29(33)34)18-12-27-22-8-3-1-6-16(18)22)21(15-30(35)36)19-13-28-23-9-4-2-7-17(19)23/h1-4,6-9,12-13,20-21,27-28H,5,10-11,14-15H2