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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

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