(E)-but-2-enedioic acid; N-methyl-N-pyridin-4-yl-carbazol-9-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-pyridin-4-yl-carbazol-9-amine Openeye Name: fumaric acid; N-methyl-N-(4-pyridyl)carbazol-9-amine CAS Name: (E)-2-butenedioic acid; N-methyl-N-pyridin-4-yl-9-carbazolamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-pyridin-4-ylcarbazol-9-amine Traditional Name: carbazol-9-yl-methyl-(4-pyridyl)amine; fumaric acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC=C1)N2C3=CC=CC=C3C4=CC=CC=C42.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=NC=C1)N2C3=CC=CC=C3C4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H15N3.C4H4O4/c1-20(14-10-12-19-13-11-14)21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21;5-3(6)1-2-4(7)8/h2-13H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+