[2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxo-ethyl] 1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl] 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: 1-keto-3-phenyl-isochroman-6-carboxylic acid [2-[(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-2-keto-ethyl] ester Formula: C25H18BrN3O6 MolecularWeight: 536.33092

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br)C5=CC=CC=C5

InChI

InChI=1S/C25H18BrN3O6/c26-17-10-19-20(29-25(33)28-19)11-18(17)27-22(30)12-34-23(31)14-6-7-16-15(8-14)9-21(35-24(16)32)13-4-2-1-3-5-13/h1-8,10-11,21H,9,12H2,(H,27,30)(H2,28,29,33)