(E)-but-2-enedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one Openeye Name: fumaric acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one CAS Name: (E)-2-butenedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one IUPAC Name: (E)-but-2-enedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one Traditional Name: fumaric acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4O3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16N2O2.C4H4O4/c1-10-13(19-9-18-10)8-11-6-7-15-16(17(11)20)12-4-2-3-5-14(12)21-15;5-3(6)1-2-4(7)8/h2-5,9,11H,6-8H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+