[3-(1,3-dinitropropan-2-yl)-1H-indol-4-yl] methyl carbonate

Systemtic Name: [3-(1,3-dinitropropan-2-yl)-1H-indol-4-yl] methyl carbonate Openeye Name: methyl [3-[2-nitro-1-(nitromethyl)ethyl]-1H-indol-4-yl] carbonate CAS Name: carbonic acid [3-(1,3-dinitropropan-2-yl)-1H-indol-4-yl] methyl ester IUPAC Name: [3-(1,3-dinitropropan-2-yl)-1H-indol-4-yl] methyl carbonate Traditional Name: carbonic acid methyl [3-[2-nitro-1-(nitromethyl)ethyl]-1H-indol-4-yl] ester Formula: C13H13N3O7 MolecularWeight: 323.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CC=CC2=C1C(=CN2)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

COC(=O)OC1=CC=CC2=C1C(=CN2)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O7/c1-22-13(17)23-11-4-2-3-10-12(11)9(5-14-10)8(6-15(18)19)7-16(20)21/h2-5,8,14H,6-7H2,1H3