2-[(E)-but-1-enyl]propanedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 2-[(E)-but-1-enyl]propanedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 2-[(E)-but-1-enyl]propanedioic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-dione CAS Name: 2-[(E)-but-1-enyl]propanedioic acid; 4-butyl-1-phenylpyrazolidine-3,5-dione IUPAC Name: 2-[(E)-but-1-enyl]propanedioic acid; 4-butyl-1-phenylpyrazolidine-3,5-dione Traditional Name: 2-[(E)-but-1-enyl]malonic acid; 4-butyl-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.C7H10O4/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;1-2-3-4-5(6(8)9)7(10)11/h4-8,11H,2-3,9H2,1H3,(H,14,16);3-5H,2H2,1H3,(H,8,9)(H,10,11)/b;4-3+