N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c19-14(7-17-6-13(16-9-17)18(20)21)15-5-10-8-22-11-3-1-2-4-12(11)23-10/h1-4,6,9-10H,5,7-8H2,(H,15,19)