(E)-but-2-enedioic acid; 1-propyl-3-(pyridin-4-ylamino)pyrrole-2-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-propyl-3-(pyridin-4-ylamino)pyrrole-2-carbaldehyde Openeye Name: fumaric acid; 1-propyl-3-(4-pyridylamino)pyrrole-2-carbaldehyde CAS Name: (E)-2-butenedioic acid; 1-propyl-3-(pyridin-4-ylamino)-2-pyrrolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-propyl-3-(pyridin-4-ylamino)pyrrole-2-carbaldehyde Traditional Name: fumaric acid; 1-propyl-3-(4-pyridylamino)pyrrole-2-carbaldehyde Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C1C=O)NC2=CC=NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1C=CC(=C1C=O)NC2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3O.C4H4O4/c1-2-8-16-9-5-12(13(16)10-17)15-11-3-6-14-7-4-11;5-3(6)1-2-4(7)8/h3-7,9-10H,2,8H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+