dimethyl (E)-2-[5-azanyl-1-(2-hydroxyethyl)-2-methyl-imidazol-4-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[5-azanyl-1-(2-hydroxyethyl)-2-methyl-imidazol-4-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[5-amino-1-(2-hydroxyethyl)-2-methyl-imidazol-4-yl]but-2-enedioate CAS Name: (E)-2-[5-amino-1-(2-hydroxyethyl)-2-methyl-4-imidazolyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[5-amino-1-(2-hydroxyethyl)-2-methylimidazol-4-yl]but-2-enedioate Traditional Name: (E)-2-[5-amino-1-(2-hydroxyethyl)-2-methyl-imidazol-4-yl]but-2-enedioic acid dimethyl ester Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CCO)N)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC(=C(N1CCO)N)/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C12H17N3O5/c1-7-14-10(11(13)15(7)4-5-16)8(12(18)20-3)6-9(17)19-2/h6,16H,4-5,13H2,1-3H3/b8-6+