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

Systemtic Name: 3-[(1S)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxidanidyl-2-phenyl-indole Openeye Name: 3-[(1S)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxido-2-phenyl-indole CAS Name: 3-[(1S)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxido-2-phenylindole IUPAC Name: 3-[(1S)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxido-2-phenylindole Traditional Name: 3-[(1S)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1-oxido-2-phenyl-indole Formula: C25H23N2O6- MolecularWeight: 447.45992

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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@H](C[N+](=O)[O-])C2=C(N(C3=CC=CC=C32)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H23N2O6/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/h4-14,19H,15H2,1-3H3/q-1/t19-/m0/s1