(7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate

Systemtic Name: (7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate Openeye Name: (7-nitro-8-quinolyl) 2-phenylsulfanylbenzoate CAS Name: 2-(phenylthio)benzoic acid (7-nitro-8-quinolinyl) ester IUPAC Name: (7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate Traditional Name: 2-(phenylthio)benzoic acid (7-nitro-8-quinolyl) ester Formula: C22H14N2O4S MolecularWeight: 402.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O4S/c25-22(17-10-4-5-11-19(17)29-16-8-2-1-3-9-16)28-21-18(24(26)27)13-12-15-7-6-14-23-20(15)21/h1-14H