tert-butyl 5-bromanyl-3-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-[2-(N-methylanilino)-2-oxo-ethyl]-2-oxo-benzimidazole-1-carboxylate CAS Name: 5-bromo-3-[2-(N-methylanilino)-2-oxoethyl]-2-oxo-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-[2-(N-methylanilino)-2-oxoethyl]-2-oxobenzimidazole-1-carboxylate Traditional Name: 5-bromo-2-keto-3-[2-keto-2-(N-methylanilino)ethyl]benzimidazole-1-carboxylic acid tert-butyl ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)N(C1=O)CC(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)N(C1=O)CC(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O4/c1-21(2,3)29-20(28)25-16-11-10-14(22)12-17(16)24(19(25)27)13-18(26)23(4)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3