1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol

Systemtic Name: 1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol Openeye Name: 1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol CAS Name: 1-methoxy-3-[[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]-4-imidazolyl]thio]-2-propanol IUPAC Name: 1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazol-4-yl]sulfanylpropan-2-ol Traditional Name: 1-[[3-(4-amoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]-3-methoxy-propan-2-ol Formula: C20H28N4O7S MolecularWeight: 468.52392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(COC)O)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(COC)O)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O7S/c1-4-5-6-9-31-18-8-7-15(10-17(18)23(26)27)11-22-14(2)21-19(24(28)29)20(22)32-13-16(25)12-30-3/h7-8,10,16,25H,4-6,9,11-13H2,1-3H3