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

Systemtic Name: 3-bromanyl-N-pyridin-4-yl-carbazol-9-amine; (E)-but-2-enedioic acid Openeye Name: 3-bromo-N-(4-pyridyl)carbazol-9-amine; fumaric acid CAS Name: 3-bromo-N-pyridin-4-yl-9-carbazolamine; (E)-2-butenedioic acid IUPAC Name: 3-bromo-N-pyridin-4-ylcarbazol-9-amine; (E)-but-2-enedioic acid Traditional Name: (3-bromocarbazol-9-yl)-(4-pyridyl)amine; fumaric acid Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2NC4=CC=NC=C4)C=CC(=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2NC4=CC=NC=C4)C=CC(=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H12BrN3.C4H4O4/c18-12-5-6-17-15(11-12)14-3-1-2-4-16(14)21(17)20-13-7-9-19-10-8-13;5-3(6)1-2-4(7)8/h1-11H,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+