2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitro-imidazol-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitro-imidazol-1-yl]ethyl methanesulfonate Openeye Name: 2-[2-[(E)-2-(dimethylamino)vinyl]-5-nitro-imidazol-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitroimidazol-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[(E)-2-(dimethylamino)vinyl]-5-nitro-imidazol-1-yl]ethyl ester Formula: C10H16N4O5S MolecularWeight: 304.32284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=CC1=NC=C(N1CCOS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)/C=C/C1=NC=C(N1CCOS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H16N4O5S/c1-12(2)5-4-9-11-8-10(14(15)16)13(9)6-7-19-20(3,17)18/h4-5,8H,6-7H2,1-3H3/b5-4+