3-[(2S)-1,1,1-tris(fluoranyl)-3-nitro-propan-2-yl]-1H-indole

Systemtic Name: 3-[(2S)-1,1,1-tris(fluoranyl)-3-nitro-propan-2-yl]-1H-indole Openeye Name: 3-[(1S)-2,2,2-trifluoro-1-(nitromethyl)ethyl]-1H-indole CAS Name: 3-[(2S)-1,1,1-trifluoro-3-nitropropan-2-yl]-1H-indole IUPAC Name: 3-[(2S)-1,1,1-trifluoro-3-nitropropan-2-yl]-1H-indole Traditional Name: 3-[(1S)-2,2,2-trifluoro-1-(nitromethyl)ethyl]-1H-indole Formula: C11H9F3N2O2 MolecularWeight: 258.19657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@@H](C[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H9F3N2O2/c12-11(13,14)9(6-16(17)18)8-5-15-10-4-2-1-3-7(8)10/h1-5,9,15H,6H2/t9-/m1/s1