(7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate

Systemtic Name: (7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate Openeye Name: (7-nitro-8-quinolyl) 3-phenylsulfanylbenzoate CAS Name: 3-(phenylthio)benzoic acid (7-nitro-8-quinolinyl) ester IUPAC Name: (7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate Traditional Name: 3-(phenylthio)benzoic acid (7-nitro-8-quinolyl) ester Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC(=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC(=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

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