2-(1,3-dinitropropan-2-yl)-3-(4-iodophenyl)-1H-pyrrole

Systemtic Name: 2-(1,3-dinitropropan-2-yl)-3-(4-iodophenyl)-1H-pyrrole Openeye Name: 3-(4-iodophenyl)-2-[2-nitro-1-(nitromethyl)ethyl]-1H-pyrrole CAS Name: 2-(1,3-dinitropropan-2-yl)-3-(4-iodophenyl)-1H-pyrrole IUPAC Name: 2-(1,3-dinitropropan-2-yl)-3-(4-iodophenyl)-1H-pyrrole Traditional Name: 3-(4-iodophenyl)-2-[2-nitro-1-(nitromethyl)ethyl]-1H-pyrrole Formula: C13H12IN3O4 MolecularWeight: 401.15655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(NC=C2)C(C[N+](=O)[O-])C[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1C2=C(NC=C2)C(C[N+](=O)[O-])C[N+](=O)[O-])I

InChI

InChI=1S/C13H12IN3O4/c14-11-3-1-9(2-4-11)12-5-6-15-13(12)10(7-16(18)19)8-17(20)21/h1-6,10,15H,7-8H2