(E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)benzamide Openeye Name: fumaric acid; N-(1-methylpyrrolidin-3-yl)benzamide CAS Name: (E)-2-butenedioic acid; N-(1-methyl-3-pyrrolidinyl)benzamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)benzamide Traditional Name: fumaric acid; N-(1-methylpyrrolidin-3-yl)benzamide Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)NC(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)NC(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2O.C4H4O4/c1-14-8-7-11(9-14)13-12(15)10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-6,11H,7-9H2,1H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+