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

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-2-methyl-1H-indole Openeye Name: 2-methyl-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole CAS Name: 3-(1,3-dinitropropan-2-yl)-2-methyl-1H-indole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-2-methyl-1H-indole Traditional Name: 2-methyl-3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-8-12(9(6-14(16)17)7-15(18)19)10-4-2-3-5-11(10)13-8/h2-5,9,13H,6-7H2,1H3