(E)-but-2-enedioic acid; 3H-pyridazin-2-yl 2-methylpropanoate

Systemtic Name: (E)-but-2-enedioic acid; 3H-pyridazin-2-yl 2-methylpropanoate Openeye Name: fumaric acid; 3H-pyridazin-2-yl 2-methylpropanoate CAS Name: (E)-2-butenedioic acid; 2-methylpropanoic acid 3H-pyridazin-2-yl ester IUPAC Name: (E)-but-2-enedioic acid; 3H-pyridazin-2-yl 2-methylpropanoate Traditional Name: fumaric acid; 2-methylpropionic acid 3H-pyridazin-2-yl ester Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)ON1CC=CC=N1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(=O)ON1CC=CC=N1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H12N2O2.C4H4O4/c1-7(2)8(11)12-10-6-4-3-5-9-10;5-3(6)1-2-4(7)8/h3-5,7H,6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+