tert-butyl 3-[4-(benzimidazol-1-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(benzimidazol-1-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[4-(benzimidazol-1-yl)-2,5-dioxo-pyrrol-3-yl]indole-1-carboxylate CAS Name: 3-[4-(1-benzimidazolyl)-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(benzimidazol-1-yl)-2,5-dioxopyrrol-3-yl]indole-1-carboxylate Traditional Name: 3-[4-(benzimidazol-1-yl)-2,5-diketo-3-pyrrolin-3-yl]indole-1-carboxylic acid tert-butyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C24H20N4O4/c1-24(2,3)32-23(31)27-12-15(14-8-4-6-10-17(14)27)19-20(22(30)26-21(19)29)28-13-25-16-9-5-7-11-18(16)28/h4-13H,1-3H3,(H,26,29,30)