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

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-1-methyl-2-phenyl-indole Openeye Name: 1-methyl-3-[2-nitro-1-(nitromethyl)ethyl]-2-phenyl-indole CAS Name: 3-(1,3-dinitropropan-2-yl)-1-methyl-2-phenylindole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-1-methyl-2-phenylindole Traditional Name: 1-methyl-3-[2-nitro-1-(nitromethyl)ethyl]-2-phenyl-indole Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-19-16-10-6-5-9-15(16)17(14(11-20(22)23)12-21(24)25)18(19)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3