(4-aminocarbonyl-2-nitro-phenyl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-methylsulfonylbenzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7S/c1-26(23,24)13-6-4-10(5-7-13)16(20)25-9-12-3-2-11(15(17)19)8-14(12)18(21)22/h2-8H,9H2,1H3,(H2,17,19)