(E)-but-2-enedioic acid; N-pyridin-4-yl-1H-indol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; N-pyridin-4-yl-1H-indol-3-amine Openeye Name: fumaric acid; N-(4-pyridyl)-1H-indol-3-amine CAS Name: (E)-2-butenedioic acid; N-pyridin-4-yl-1H-indol-3-amine IUPAC Name: (E)-but-2-enedioic acid; N-pyridin-4-yl-1H-indol-3-amine Traditional Name: fumaric acid; 1H-indol-3-yl(4-pyridyl)amine Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)NC3=CC=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)NC3=CC=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H11N3.C4H4O4/c1-2-4-12-11(3-1)13(9-15-12)16-10-5-7-14-8-6-10;5-3(6)1-2-4(7)8/h1-9,15H,(H,14,16);1-2H,(H,5,6)(H,7,8)/b;2-1+