ethyl 2-methyl-3-(4-methylsulfonyl-2,6-dinitro-phenyl)-2H-imidazole-1-carboxylate

Systemtic Name: ethyl 2-methyl-3-(4-methylsulfonyl-2,6-dinitro-phenyl)-2H-imidazole-1-carboxylate Openeye Name: ethyl 2-methyl-3-(4-methylsulfonyl-2,6-dinitro-phenyl)-2H-imidazole-1-carboxylate CAS Name: 2-methyl-3-(4-methylsulfonyl-2,6-dinitrophenyl)-2H-imidazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-(4-methylsulfonyl-2,6-dinitrophenyl)-2H-imidazole-1-carboxylate Traditional Name: 3-(4-mesyl-2,6-dinitro-phenyl)-2-methyl-4-imidazoline-1-carboxylic acid ethyl ester Formula: C14H16N4O8S MolecularWeight: 400.36384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CN(C1C)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C=CN(C1C)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O8S/c1-4-26-14(19)16-6-5-15(9(16)2)13-11(17(20)21)7-10(27(3,24)25)8-12(13)18(22)23/h5-9H,4H2,1-3H3