(4-aminocarbonyl-2-nitro-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H13N3O9S MolecularWeight: 423.35412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O9S/c1-29(26,27)14-5-4-10(7-13(14)19(24)25)16(21)28-8-11-3-2-9(15(17)20)6-12(11)18(22)23/h2-7H,8H2,1H3,(H2,17,20)