1-[(E)-3-(1-benzofuran-2-yl)prop-2-enyl]imidazole; (E)-but-2-enedioic acid

Systemtic Name: 1-[(E)-3-(1-benzofuran-2-yl)prop-2-enyl]imidazole; (E)-but-2-enedioic acid Openeye Name: 1-[(E)-3-(benzofuran-2-yl)allyl]imidazole; fumaric acid CAS Name: 1-[(E)-3-(2-benzofuranyl)prop-2-enyl]imidazole; (E)-2-butenedioic acid IUPAC Name: 1-[(E)-3-(1-benzofuran-2-yl)prop-2-enyl]imidazole; (E)-but-2-enedioic acid Traditional Name: 1-[(E)-3-(benzofuran-2-yl)allyl]imidazole; fumaric acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C=CCN3C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)/C=C/CN3C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H12N2O.C4H4O4/c1-2-6-14-12(4-1)10-13(17-14)5-3-8-16-9-7-15-11-16;5-3(6)1-2-4(7)8/h1-7,9-11H,8H2;1-2H,(H,5,6)(H,7,8)/b5-3+;2-1+