(E)-but-2-enedioic acid; 1-[methyl(quinolin-4-yl)amino]pyrrole-3-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-[methyl(quinolin-4-yl)amino]pyrrole-3-carbaldehyde Openeye Name: fumaric acid; 1-[methyl(4-quinolyl)amino]pyrrole-3-carbaldehyde CAS Name: (E)-2-butenedioic acid; 1-[methyl(4-quinolinyl)amino]-3-pyrrolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-[methyl(quinolin-4-yl)amino]pyrrole-3-carbaldehyde Traditional Name: fumaric acid; 1-[methyl(4-quinolyl)amino]pyrrole-3-carbaldehyde Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC2=CC=CC=C21)N3C=CC(=C3)C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=NC2=CC=CC=C21)N3C=CC(=C3)C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H13N3O.C4H4O4/c1-17(18-9-7-12(10-18)11-19)15-6-8-16-14-5-3-2-4-13(14)15;5-3(6)1-2-4(7)8/h2-11H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+