(E)-but-2-enedioic acid; 1-(phenylmethyl)pyrrolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(phenylmethyl)pyrrolidin-2-one Openeye Name: 1-benzylpyrrolidin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(phenylmethyl)-2-pyrrolidinone IUPAC Name: 1-benzylpyrrolidin-2-one; (E)-but-2-enedioic acid Traditional Name: 1-benzyl-2-pyrrolidone; fumaric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13NO.C4H4O4/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10;5-3(6)1-2-4(7)8/h1-3,5-6H,4,7-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+