3-(1,3-dinitropropan-2-yl)-1-ethyl-2-phenyl-indole

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-1-ethyl-2-phenyl-indole Openeye Name: 1-ethyl-3-[2-nitro-1-(nitromethyl)ethyl]-2-phenyl-indole CAS Name: 3-(1,3-dinitropropan-2-yl)-1-ethyl-2-phenylindole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-1-ethyl-2-phenylindole Traditional Name: 1-ethyl-3-[2-nitro-1-(nitromethyl)ethyl]-2-phenyl-indole Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-2-20-17-11-7-6-10-16(17)18(15(12-21(23)24)13-22(25)26)19(20)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3