8-bromanyl-6-(furan-2-yl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid

Systemtic Name: 8-bromanyl-6-(furan-2-yl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid Openeye Name: acetic acid; 8-bromo-6-(2-furyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 8-bromo-6-(2-furanyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 8-bromo-6-(furan-2-yl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 8-bromo-6-(2-furyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=COC(=C1)C2=NC(C3=NC=CN3C4=C2C=C(C=C4)Br)O

Isomeric SMILES

CC(=O)O.C1=COC(=C1)C2=NC(C3=NC=CN3C4=C2C=C(C=C4)Br)O

InChI

InChI=1S/C15H10BrN3O2.C2H4O2/c16-9-3-4-11-10(8-9)13(12-2-1-7-21-12)18-15(20)14-17-5-6-19(11)14;1-2(3)4/h1-8,15,20H;1H3,(H,3,4)