6-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethylamino]-1H-benzimidazole-4,7-dione

Systemtic Name: 6-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethylamino]-1H-benzimidazole-4,7-dione Openeye Name: 6-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]-1H-benzimidazole-4,7-dione CAS Name: 6-[2-(3,5-dibromo-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione IUPAC Name: 6-[2-(3,5-dibromo-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione Traditional Name: 6-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]-1H-benzimidazole-4,7-quinone Formula: C15H11Br2N3O3 MolecularWeight: 441.07414

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)Br)CCNC2=CC(=O)C3=C(C2=O)NC=N3

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)Br)CCNC2=CC(=O)C3=C(C2=O)NC=N3

InChI

InChI=1S/C15H11Br2N3O3/c16-8-3-7(4-9(17)14(8)22)1-2-18-10-5-11(21)12-13(15(10)23)20-6-19-12/h3-6,18,22H,1-2H2,(H,19,20)