(E)-but-2-enedioic acid; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: fumaric acid; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: (E)-2-butenedioic acid; 3-[4-(1-imidazolyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: (E)-but-2-enedioic acid; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: fumaric acid; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N4O.C4H4O4/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18;5-3(6)1-2-4(7)8/h2-7,9-10H,8H2,1H3,(H,16,19);1-2H,(H,5,6)(H,7,8)/b;2-1+