(E)-but-2-enedioic acid; N-pyrazol-1-ylpyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-pyrazol-1-ylpyridin-4-amine Openeye Name: fumaric acid; N-pyrazol-1-ylpyridin-4-amine CAS Name: (E)-2-butenedioic acid; N-(1-pyrazolyl)-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; N-pyrazol-1-ylpyridin-4-amine Traditional Name: fumaric acid; pyrazol-1-yl(4-pyridyl)amine Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)NC2=CC=NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN(N=C1)NC2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H8N4.C4H4O4/c1-4-10-12(7-1)11-8-2-5-9-6-3-8;5-3(6)1-2-4(7)8/h1-7H,(H,9,11);1-2H,(H,5,6)(H,7,8)/b;2-1+