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

Systemtic Name: [3-(1,3-dinitropropan-2-yl)-1-(phenylmethyl)indol-4-yl] methyl carbonate Openeye Name: [1-benzyl-3-[2-nitro-1-(nitromethyl)ethyl]indol-4-yl] methyl carbonate CAS Name: carbonic acid [3-(1,3-dinitropropan-2-yl)-1-(phenylmethyl)-4-indolyl] methyl ester IUPAC Name: [1-benzyl-3-(1,3-dinitropropan-2-yl)indol-4-yl] methyl carbonate Traditional Name: carbonic acid [1-benzyl-3-[2-nitro-1-(nitromethyl)ethyl]indol-4-yl] methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

COC(=O)OC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-29-20(24)30-18-9-5-8-17-19(18)16(15(11-22(25)26)12-23(27)28)13-21(17)10-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3