3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxidanyl-2-phenyl-indole

Systemtic Name: 3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxidanyl-2-phenyl-indole Openeye Name: 1-hydroxy-3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-2-phenyl-indole CAS Name: 1-hydroxy-3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-2-phenylindole IUPAC Name: 1-hydroxy-3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-2-phenylindole Traditional Name: 1-hydroxy-3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-2-phenyl-indole Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C2=C(N(C3=CC=CC=C32)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C2=C(N(C3=CC=CC=C32)O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O6/c1-31-21-13-17(14-22(32-2)25(21)33-3)19(15-26(28)29)23-18-11-7-8-12-20(18)27(30)24(23)16-9-5-4-6-10-16/h4-14,19,30H,15H2,1-3H3