tert-butyl 5-[(4-chlorophenyl)-cyano-morpholin-4-yl-methyl]-2-methyl-4-nitro-imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-[(4-chlorophenyl)-cyano-morpholin-4-yl-methyl]-2-methyl-4-nitro-imidazole-1-carboxylate Openeye Name: tert-butyl 5-[(4-chlorophenyl)-cyano-morpholino-methyl]-2-methyl-4-nitro-imidazole-1-carboxylate CAS Name: 5-[(4-chlorophenyl)-cyano-(4-morpholinyl)methyl]-2-methyl-4-nitro-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-chlorophenyl)-cyano-morpholin-4-ylmethyl]-2-methyl-4-nitroimidazole-1-carboxylate Traditional Name: 5-[(4-chlorophenyl)-cyano-morpholino-methyl]-2-methyl-4-nitro-imidazole-1-carboxylic acid tert-butyl ester Formula: C21H24ClN5O5 MolecularWeight: 461.89876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C(=O)OC(C)(C)C)C(C#N)(C2=CC=C(C=C2)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C(=O)OC(C)(C)C)C(C#N)(C2=CC=C(C=C2)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O5/c1-14-24-18(27(29)30)17(26(14)19(28)32-20(2,3)4)21(13-23,25-9-11-31-12-10-25)15-5-7-16(22)8-6-15/h5-8H,9-12H2,1-4H3