(E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-3-yl)oxypyridine-2-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-3-yl)oxypyridine-2-carbonitrile Openeye Name: fumaric acid; 3-(1-methylpyrrolidin-3-yl)oxypyridine-2-carbonitrile CAS Name: (E)-2-butenedioic acid; 3-[(1-methyl-3-pyrrolidinyl)oxy]-2-pyridinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-3-yl)oxypyridine-2-carbonitrile Traditional Name: fumaric acid; 3-(1-methylpyrrolidin-3-yl)oxypicolinonitrile Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(N=CC=C2)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)OC2=C(N=CC=C2)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13N3O.C4H4O4/c1-14-6-4-9(8-14)15-11-3-2-5-13-10(11)7-12;5-3(6)1-2-4(7)8/h2-3,5,9H,4,6,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+