[2-methyl-3-[4-nitro-2-(4-nitrophenyl)sulfanyl-imidazol-1-yl]-2-oxidanyl-propyl] piperazine-1-carboxylate

Systemtic Name: [2-methyl-3-[4-nitro-2-(4-nitrophenyl)sulfanyl-imidazol-1-yl]-2-oxidanyl-propyl] piperazine-1-carboxylate Openeye Name: [2-hydroxy-2-methyl-3-[4-nitro-2-(4-nitrophenyl)sulfanyl-imidazol-1-yl]propyl] piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [2-hydroxy-2-methyl-3-[4-nitro-2-[(4-nitrophenyl)thio]-1-imidazolyl]propyl] ester IUPAC Name: [2-hydroxy-2-methyl-3-[4-nitro-2-(4-nitrophenyl)sulfanylimidazol-1-yl]propyl] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [2-hydroxy-2-methyl-3-[4-nitro-2-[(4-nitrophenyl)thio]imidazol-1-yl]propyl] ester Formula: C18H22N6O7S MolecularWeight: 466.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1SC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(COC(=O)N3CCNCC3)O

Isomeric SMILES

CC(CN1C=C(N=C1SC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(COC(=O)N3CCNCC3)O

InChI

InChI=1S/C18H22N6O7S/c1-18(26,12-31-17(25)21-8-6-19-7-9-21)11-22-10-15(24(29)30)20-16(22)32-14-4-2-13(3-5-14)23(27)28/h2-5,10,19,26H,6-9,11-12H2,1H3