(E)-but-2-enedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[f]chromen-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[f]chromen-1-one Openeye Name: fumaric acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[f]chromen-1-one CAS Name: (E)-2-butenedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]-1-benzo[f][1]benzopyranone IUPAC Name: (E)-but-2-enedioic acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[f]chromen-1-one Traditional Name: fumaric acid; 2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[f]chromen-1-one Formula: C22H18N2O6 MolecularWeight: 406.38812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC2=COC3=C(C2=O)C4=CC=CC=C4C=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC2=COC3=C(C2=O)C4=CC=CC=C4C=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H14N2O2.C4H4O4/c1-11-15(20-10-19-11)8-13-9-22-16-7-6-12-4-2-3-5-14(12)17(16)18(13)21;5-3(6)1-2-4(7)8/h2-7,9-10H,8H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+