ethyl 1-(3,3-dimethyl-2-oxidanyl-butyl)-2-(2-nitrophenyl)benzimidazole-4-carboxylate

Systemtic Name: ethyl 1-(3,3-dimethyl-2-oxidanyl-butyl)-2-(2-nitrophenyl)benzimidazole-4-carboxylate Openeye Name: ethyl 1-(2-hydroxy-3,3-dimethyl-butyl)-2-(2-nitrophenyl)benzimidazole-4-carboxylate CAS Name: 1-(2-hydroxy-3,3-dimethylbutyl)-2-(2-nitrophenyl)-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxy-3,3-dimethylbutyl)-2-(2-nitrophenyl)benzimidazole-4-carboxylate Traditional Name: 1-(2-hydroxy-3,3-dimethyl-butyl)-2-(2-nitrophenyl)benzimidazole-4-carboxylic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N(C(=N2)C3=CC=CC=C3[N+](=O)[O-])CC(C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N(C(=N2)C3=CC=CC=C3[N+](=O)[O-])CC(C(C)(C)C)O

InChI

InChI=1S/C22H25N3O5/c1-5-30-21(27)15-10-8-12-17-19(15)23-20(24(17)13-18(26)22(2,3)4)14-9-6-7-11-16(14)25(28)29/h6-12,18,26H,5,13H2,1-4H3