(E)-but-2-enedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (E)-but-2-enedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-butyl-1-phenylpyrazolidine-3,5-dione IUPAC Name: (E)-but-2-enedioic acid; 4-butyl-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; fumaric acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16N2O2.C4H4O4/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;5-3(6)1-2-4(7)8/h4-8,11H,2-3,9H2,1H3,(H,14,16);1-2H,(H,5,6)(H,7,8)/b;2-1+