(E)-but-2-enedioic acid; 4-methyl-3-[4-(2-methylimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-3-[4-(2-methylimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: fumaric acid; 4-methyl-3-[4-(2-methylimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: (E)-2-butenedioic acid; 4-methyl-3-[4-(2-methyl-1-imidazolyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-3-[4-(2-methylimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: fumaric acid; 4-methyl-3-[4-(2-methylimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C19H20N4O5 MolecularWeight: 384.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N4O.C4H4O4/c1-10-9-14(20)17-18-15(10)12-3-5-13(6-4-12)19-8-7-16-11(19)2;5-3(6)1-2-4(7)8/h3-8,10H,9H2,1-2H3,(H,17,20);1-2H,(H,5,6)(H,7,8)/b;2-1+