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

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-1H-indole Openeye Name: 3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole CAS Name: 3-(1,3-dinitropropan-2-yl)-1H-indole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-1H-indole Traditional Name: 3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4/c15-13(16)6-8(7-14(17)18)10-5-12-11-4-2-1-3-9(10)11/h1-5,8,12H,6-7H2