(E)-but-2-enedioic acid; 1-[(7-chloranylquinolin-4-yl)-methyl-amino]pyrrole-3-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-[(7-chloranylquinolin-4-yl)-methyl-amino]pyrrole-3-carbaldehyde Openeye Name: 1-[(7-chloro-4-quinolyl)-methyl-amino]pyrrole-3-carbaldehyde; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(7-chloro-4-quinolinyl)-methylamino]-3-pyrrolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-[(7-chloroquinolin-4-yl)-methylamino]pyrrole-3-carbaldehyde Traditional Name: 1-[(7-chloro-4-quinolyl)-methyl-amino]pyrrole-3-carbaldehyde; fumaric acid Formula: C19H16ClN3O5 MolecularWeight: 401.80044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC(=C3)C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC(=C3)C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H12ClN3O.C4H4O4/c1-18(19-7-5-11(9-19)10-20)15-4-6-17-14-8-12(16)2-3-13(14)15;5-3(6)1-2-4(7)8/h2-10H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+