(2-oxidanylidene-2-phenylazanyl-ethyl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

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