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

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-1,2-dimethyl-indole Openeye Name: 1,2-dimethyl-3-[2-nitro-1-(nitromethyl)ethyl]indole CAS Name: 3-(1,3-dinitropropan-2-yl)-1,2-dimethylindole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-1,2-dimethylindole Traditional Name: 1,2-dimethyl-3-[2-nitro-1-(nitromethyl)ethyl]indole Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-9-13(10(7-15(17)18)8-16(19)20)11-5-3-4-6-12(11)14(9)2/h3-6,10H,7-8H2,1-2H3