(E)-but-2-enedioic acid; (E)-N-methyl-4-pyridin-3-yl-but-3-en-1-amine

Systemtic Name: (E)-but-2-enedioic acid; (E)-N-methyl-4-pyridin-3-yl-but-3-en-1-amine Openeye Name: fumaric acid; (E)-N-methyl-4-(3-pyridyl)but-3-en-1-amine CAS Name: (E)-2-butenedioic acid; (E)-N-methyl-4-(3-pyridinyl)-3-buten-1-amine IUPAC Name: (E)-but-2-enedioic acid; (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine Traditional Name: fumaric acid; methyl-[(E)-4-(3-pyridyl)but-3-enyl]amine Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC=CC1=CN=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC/C=C/C1=CN=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H14N2.C4H4O4/c1-11-7-3-2-5-10-6-4-8-12-9-10;5-3(6)1-2-4(7)8/h2,4-6,8-9,11H,3,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b5-2+;2-1+