3-(1H-indol-3-yl)-4-[6-nitro-1-(2-oxidanyl-3-piperidin-1-yl-propyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[6-nitro-1-(2-oxidanyl-3-piperidin-1-yl-propyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-[2-hydroxy-3-(1-piperidyl)propyl]-6-nitro-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-[2-hydroxy-3-(1-piperidinyl)propyl]-6-nitro-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-6-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-hydroxy-3-piperidino-propyl)-6-nitro-indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C28H27N5O5 MolecularWeight: 513.54448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CN2C=C(C3=C2C=C(C=C3)[N+](=O)[O-])C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65)O

Isomeric SMILES

C1CCN(CC1)CC(CN2C=C(C3=C2C=C(C=C3)[N+](=O)[O-])C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65)O

InChI

InChI=1S/C28H27N5O5/c34-18(14-31-10-4-1-5-11-31)15-32-16-22(20-9-8-17(33(37)38)12-24(20)32)26-25(27(35)30-28(26)36)21-13-29-23-7-3-2-6-19(21)23/h2-3,6-9,12-13,16,18,29,34H,1,4-5,10-11,14-15H2,(H,30,35,36)