3-(2-nitrooctan-3-yl)-2-phenyl-1H-indole

Systemtic Name: 3-(2-nitrooctan-3-yl)-2-phenyl-1H-indole Openeye Name: 3-[1-(1-nitroethyl)hexyl]-2-phenyl-1H-indole CAS Name: 3-(2-nitrooctan-3-yl)-2-phenyl-1H-indole IUPAC Name: 3-(2-nitrooctan-3-yl)-2-phenyl-1H-indole Traditional Name: 3-[1-(1-nitroethyl)hexyl]-2-phenyl-1H-indole Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O2/c1-3-4-6-13-18(16(2)24(25)26)21-19-14-9-10-15-20(19)23-22(21)17-11-7-5-8-12-17/h5,7-12,14-16,18,23H,3-4,6,13H2,1-2H3