(E)-but-2-enedioic acid; 3-methoxy-6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-methoxy-6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one Openeye Name: fumaric acid; 3-methoxy-6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one CAS Name: (E)-2-butenedioic acid; 3-methoxy-6-[(2-methyl-1-imidazolyl)methyl]-1-cyclohex-2-enone IUPAC Name: (E)-but-2-enedioic acid; 3-methoxy-6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one Traditional Name: fumaric acid; 3-methoxy-6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2CCC(=CC2=O)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC2CCC(=CC2=O)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2O2.C4H4O4/c1-9-13-5-6-14(9)8-10-3-4-11(16-2)7-12(10)15;5-3(6)1-2-4(7)8/h5-7,10H,3-4,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+