3-(1,3-dinitropropan-2-yl)-4,7-dimethoxy-1H-indole

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-4,7-dimethoxy-1H-indole Openeye Name: 4,7-dimethoxy-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole CAS Name: 3-(1,3-dinitropropan-2-yl)-4,7-dimethoxy-1H-indole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-4,7-dimethoxy-1H-indole Traditional Name: 4,7-dimethoxy-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole Formula: C13H15N3O6 MolecularWeight: 309.2747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)OC)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)OC)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-21-10-3-4-11(22-2)13-12(10)9(5-14-13)8(6-15(17)18)7-16(19)20/h3-5,8,14H,6-7H2,1-2H3