(E)-but-2-enedioic acid; 2-pyridin-2-ylethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-pyridin-2-ylethanamine Openeye Name: fumaric acid; 2-(2-pyridyl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(2-pyridinyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-pyridin-2-ylethanamine Traditional Name: fumaric acid; 2-(2-pyridyl)ethylamine Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H10N2.C4H4O4/c8-5-4-7-3-1-2-6-9-7;5-3(6)1-2-4(7)8/h1-3,6H,4-5,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+