(E)-but-2-enedioic acid; N-methyl-2-pyridin-2-yl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-pyridin-2-yl-ethanamine Openeye Name: fumaric acid; N-methyl-2-(2-pyridyl)ethanamine CAS Name: (E)-2-butenedioic acid; N-methyl-2-(2-pyridinyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-pyridin-2-ylethanamine Traditional Name: fumaric acid; methyl-[2-(2-pyridyl)ethyl]amine Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC=CC=N1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC1=CC=CC=N1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H12N2.C4H4O4/c1-9-7-5-8-4-2-3-6-10-8;5-3(6)1-2-4(7)8/h2-4,6,9H,5,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+