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

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-N-pyridin-4-yl-indol-3-amine Openeye Name: fumaric acid; 1-methyl-N-(4-pyridyl)indol-3-amine CAS Name: (E)-2-butenedioic acid; 1-methyl-N-pyridin-4-yl-3-indolamine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-N-pyridin-4-ylindol-3-amine Traditional Name: fumaric acid; (1-methylindol-3-yl)-(4-pyridyl)amine Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)NC3=CC=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)NC3=CC=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H13N3.C4H4O4/c1-17-10-13(12-4-2-3-5-14(12)17)16-11-6-8-15-9-7-11;5-3(6)1-2-4(7)8/h2-10H,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+