(E)-but-2-enedioic acid; 1-(pyridin-4-ylamino)pyrrole-2-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-(pyridin-4-ylamino)pyrrole-2-carbaldehyde Openeye Name: fumaric acid; 1-(4-pyridylamino)pyrrole-2-carbaldehyde CAS Name: (E)-2-butenedioic acid; 1-(pyridin-4-ylamino)-2-pyrrolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-(pyridin-4-ylamino)pyrrole-2-carbaldehyde Traditional Name: fumaric acid; 1-(4-pyridylamino)pyrrole-2-carbaldehyde Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O.C4H4O4/c14-8-10-2-1-7-13(10)12-9-3-5-11-6-4-9;5-3(6)1-2-4(7)8/h1-8H,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+