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

Systemtic Name: (7-butyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ethanoate Openeye Name: (7-butyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate CAS Name: acetic acid (7-butyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester IUPAC Name: (7-butyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate Traditional Name: acetic acid (7-butyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1[N+](=O)[O-])N=C3N2CCC3OC(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1[N+](=O)[O-])N=C3N2CCC3OC(=O)C

InChI

InChI=1S/C16H19N3O4/c1-3-4-5-11-8-14-12(9-13(11)19(21)22)17-16-15(23-10(2)20)6-7-18(14)16/h8-9,15H,3-7H2,1-2H3