tert-butyl 2-[4-(1H-indol-3-yl)-2-nitro-butyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(1H-indol-3-yl)-2-nitro-butyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[4-(1H-indol-3-yl)-2-nitro-butyl]indole-1-carboxylate CAS Name: 2-[4-(1H-indol-3-yl)-2-nitrobutyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(1H-indol-3-yl)-2-nitrobutyl]indole-1-carboxylate Traditional Name: 2-[4-(1H-indol-3-yl)-2-nitro-butyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CC(CCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CC(CCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O4/c1-25(2,3)32-24(29)27-20(14-17-8-4-7-11-23(17)27)15-19(28(30)31)13-12-18-16-26-22-10-6-5-9-21(18)22/h4-11,14,16,19,26H,12-13,15H2,1-3H3