(6-bromanyl-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ethanoate

Systemtic Name: (6-bromanyl-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ethanoate Openeye Name: (6-bromo-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate CAS Name: acetic acid (6-bromo-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester IUPAC Name: (6-bromo-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate Traditional Name: acetic acid (6-bromo-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1Br)[N+](=O)[O-])N=C3N2CCC3OC(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C(=C1Br)[N+](=O)[O-])N=C3N2CCC3OC(=O)C

InChI

InChI=1S/C16H18BrN3O4/c1-3-4-5-10-8-11-14(15(13(10)17)20(22)23)18-16-12(24-9(2)21)6-7-19(11)16/h8,12H,3-7H2,1-2H3