(E)-but-2-enedioic acid; 2-pyridin-4-ylindol-1-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2N)C3=CC=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2N)C3=CC=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H11N3.C4H4O4/c14-16-12-4-2-1-3-11(12)9-13(16)10-5-7-15-8-6-10;5-3(6)1-2-4(7)8/h1-9H,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+