3-methyl-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-imidazol-4-amine

Systemtic Name: 3-methyl-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-imidazol-4-amine Openeye Name: 3-methyl-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-imidazol-4-amine CAS Name: 3-methyl-5-nitro-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-4-imidazolamine IUPAC Name: 3-methyl-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylimidazol-4-amine Traditional Name: (3-methyl-5-nitro-imidazol-4-yl)-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-amine Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NC2=CC3=C(C=C2)OC4(O3)CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NC2=CC3=C(C=C2)OC4(O3)CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-19-10-17-14(20(21)22)15(19)18-11-5-6-12-13(9-11)24-16(23-12)7-3-2-4-8-16/h5-6,9-10,18H,2-4,7-8H2,1H3