tert-butyl 2-(2-chlorophenyl)-5-methyl-1-(4-nitrophenyl)imidazole-4-carboxylate

Systemtic Name: tert-butyl 2-(2-chlorophenyl)-5-methyl-1-(4-nitrophenyl)imidazole-4-carboxylate Openeye Name: tert-butyl 2-(2-chlorophenyl)-5-methyl-1-(4-nitrophenyl)imidazole-4-carboxylate CAS Name: 2-(2-chlorophenyl)-5-methyl-1-(4-nitrophenyl)-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chlorophenyl)-5-methyl-1-(4-nitrophenyl)imidazole-4-carboxylate Traditional Name: 2-(2-chlorophenyl)-5-methyl-1-(4-nitrophenyl)imidazole-4-carboxylic acid tert-butyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H20ClN3O4/c1-13-18(20(26)29-21(2,3)4)23-19(16-7-5-6-8-17(16)22)24(13)14-9-11-15(12-10-14)25(27)28/h5-12H,1-4H3