N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methyl-5-nitro-imidazol-4-amine

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methyl-5-nitro-imidazol-4-amine Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methyl-5-nitro-imidazol-4-amine CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methyl-5-nitro-4-imidazolamine IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methyl-5-nitroimidazol-4-amine Traditional Name: [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl-(3-methyl-5-nitro-imidazol-4-yl)amine Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-21-12-20-17(22(23)24)16(21)19-11-18(6-2-3-7-18)13-4-5-14-15(10-13)26-9-8-25-14/h4-5,10,12,19H,2-3,6-9,11H2,1H3