(E)-but-2-enedioic acid; N-pyridin-4-ylcarbazol-9-amine

Systemtic Name: (E)-but-2-enedioic acid; N-pyridin-4-ylcarbazol-9-amine Openeye Name: fumaric acid; N-(4-pyridyl)carbazol-9-amine CAS Name: (E)-2-butenedioic acid; N-pyridin-4-yl-9-carbazolamine IUPAC Name: (E)-but-2-enedioic acid; N-pyridin-4-ylcarbazol-9-amine Traditional Name: carbazol-9-yl(4-pyridyl)amine; fumaric acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N2NC4=CC=NC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2NC4=CC=NC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H13N3.C4H4O4/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)20(16)19-13-9-11-18-12-10-13;5-3(6)1-2-4(7)8/h1-12H,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+