(E)-but-2-enedioic acid; 1-[3-(pyridin-4-ylamino)indol-1-yl]ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(pyridin-4-ylamino)indol-1-yl]ethanone Openeye Name: fumaric acid; 1-[3-(4-pyridylamino)indol-1-yl]ethanone CAS Name: (E)-2-butenedioic acid; 1-[3-(pyridin-4-ylamino)-1-indolyl]ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(pyridin-4-ylamino)indol-1-yl]ethanone Traditional Name: fumaric acid; 1-[3-(4-pyridylamino)indol-1-yl]ethanone Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)NC3=CC=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)NC3=CC=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

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