5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-methyl-4-nitro-imidazole

Systemtic Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-methyl-4-nitro-imidazole Openeye Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-methyl-4-nitro-imidazole CAS Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-1-methyl-4-nitroimidazole IUPAC Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-methyl-4-nitroimidazole Traditional Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-1-methyl-4-nitro-imidazole Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-18-10-17-15(20(21)22)16(18)19-6-2-3-12(19)11-4-5-13-14(9-11)24-8-7-23-13/h4-5,9-10,12H,2-3,6-8H2,1H3