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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC=C3C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC=C3C=O.C(=C/C(=O)O)\C(=O)O

InChI

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