(E)-but-2-enedioic acid; (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Openeye Name: fumaric acid; (5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one CAS Name: (E)-2-butenedioic acid; (5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone IUPAC Name: (E)-but-2-enedioic acid; (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one Traditional Name: fumaric acid; (5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC1=O)C2=CN=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1[C@@H](CCC1=O)C2=CN=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H12N2O.C4H4O4/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;5-3(6)1-2-4(7)8/h2-3,6-7,9H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t9-;/m0./s1