2-methyl-3-(4-methylsulfonyl-2,6-dinitro-phenyl)-2H-imidazole-1-carboxylic acid

Systemtic Name: 2-methyl-3-(4-methylsulfonyl-2,6-dinitro-phenyl)-2H-imidazole-1-carboxylic acid Openeye Name: 2-methyl-3-(4-methylsulfonyl-2,6-dinitro-phenyl)-2H-imidazole-1-carboxylic acid CAS Name: 2-methyl-3-(4-methylsulfonyl-2,6-dinitrophenyl)-2H-imidazole-1-carboxylic acid IUPAC Name: 2-methyl-3-(4-methylsulfonyl-2,6-dinitrophenyl)-2H-imidazole-1-carboxylic acid Traditional Name: 3-(4-mesyl-2,6-dinitro-phenyl)-2-methyl-4-imidazoline-1-carboxylic acid Formula: C12H12N4O8S MolecularWeight: 372.31068

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C=CN1C(=O)O)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1N(C=CN1C(=O)O)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O8S/c1-7-13(3-4-14(7)12(17)18)11-9(15(19)20)5-8(25(2,23)24)6-10(11)16(21)22/h3-7H,1-2H3,(H,17,18)