1-[[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-4-nitro-imidazole

Systemtic Name: 1-[[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-4-nitro-imidazole Openeye Name: 1-[[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-4-nitro-imidazole CAS Name: 1-[[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-4-nitroimidazole IUPAC Name: 1-[[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-4-nitroimidazole Traditional Name: 1-[[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methyl-4-nitro-imidazole Formula: C15H16ClN3O4 MolecularWeight: 337.75824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC2COC(O2)(C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1C[C@H]2CO[C@](O2)(C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O4/c1-10-17-14(19(20)21)8-18(10)7-13-9-22-15(2,23-13)11-3-5-12(16)6-4-11/h3-6,8,13H,7,9H2,1-2H3/t13-,15-/m0/s1