(E)-but-2-enedioic acid; 5-chloranyl-N-pyridin-4-yl-indol-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-N-pyridin-4-yl-indol-1-amine Openeye Name: 5-chloro-N-(4-pyridyl)indol-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-N-pyridin-4-ylindol-1-amine Traditional Name: (5-chloroindol-1-yl)-(4-pyridyl)amine; fumaric acid Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2NC3=CC=NC=C3)C=C1Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN2NC3=CC=NC=C3)C=C1Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H10ClN3.C4H4O4/c14-11-1-2-13-10(9-11)5-8-17(13)16-12-3-6-15-7-4-12;5-3(6)1-2-4(7)8/h1-9H,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+