(5-aminocarbonyl-1H-imidazol-4-yl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C12H10N4O7S MolecularWeight: 354.2954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2=C(NC=N2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2=C(NC=N2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O7S/c1-24(21,22)8-3-2-6(4-7(8)16(19)20)12(18)23-11-9(10(13)17)14-5-15-11/h2-5H,1H3,(H2,13,17)(H,14,15)