(E)-but-2-enedioic acid; N-methyl-N-pyrrol-1-yl-quinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-pyrrol-1-yl-quinolin-4-amine Openeye Name: fumaric acid; N-methyl-N-pyrrol-1-yl-quinolin-4-amine CAS Name: (E)-2-butenedioic acid; N-methyl-N-(1-pyrrolyl)-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-pyrrol-1-ylquinolin-4-amine Traditional Name: fumaric acid; methyl-pyrrol-1-yl-(4-quinolyl)amine Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3.C4H4O4/c1-16(17-10-4-5-11-17)14-8-9-15-13-7-3-2-6-12(13)14;5-3(6)1-2-4(7)8/h2-11H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+