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

Systemtic Name: (6-acetamido-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ethanoate Openeye Name: (6-acetamido-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate CAS Name: acetic acid (6-acetamido-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester IUPAC Name: (6-acetamido-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate Traditional Name: acetic acid (6-acetamido-7-butyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3OC(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3OC(=O)C

InChI

InChI=1S/C18H22N4O5/c1-4-5-6-12-9-13-16(17(22(25)26)15(12)19-10(2)23)20-18-14(27-11(3)24)7-8-21(13)18/h9,14H,4-8H2,1-3H3,(H,19,23)