(E)-but-2-enedioic acid; N-pyrrol-1-yl-7-(trifluoromethyl)quinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-pyrrol-1-yl-7-(trifluoromethyl)quinolin-4-amine Openeye Name: fumaric acid; N-pyrrol-1-yl-7-(trifluoromethyl)quinolin-4-amine CAS Name: (E)-2-butenedioic acid; N-(1-pyrrolyl)-7-(trifluoromethyl)-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; N-pyrrol-1-yl-7-(trifluoromethyl)quinolin-4-amine Traditional Name: fumaric acid; pyrrol-1-yl-[7-(trifluoromethyl)-4-quinolyl]amine Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN(C=C1)NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H10F3N3.C4H4O4/c15-14(16,17)10-3-4-11-12(5-6-18-13(11)9-10)19-20-7-1-2-8-20;5-3(6)1-2-4(7)8/h1-9H,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+