[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(4-phenoxyanilino)ethyl] ester Formula: C22H18N2O8S MolecularWeight: 470.45192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O8S/c1-33(29,30)20-12-7-15(13-19(20)24(27)28)22(26)31-14-21(25)23-16-8-10-18(11-9-16)32-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25)