(E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methyl-3-indazolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one Formula: C19H20N4O5 MolecularWeight: 384.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=NN(C3=CC=CC=C32)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=NN(C3=CC=CC=C32)C.C(=C/C(=O)O)\C(=O)O

InChI

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