(1-oxidanylidene-1-phenyl-propan-2-yl) 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO5S/c1-15(21(24)16-8-4-2-5-9-16)28-22(25)17-12-13-20(19(14-17)23(26)27)29-18-10-6-3-7-11-18/h2-15H,1H3