quinolin-8-yl 2-(2-nitrophenyl)sulfanylbenzoate

Systemtic Name: quinolin-8-yl 2-(2-nitrophenyl)sulfanylbenzoate Openeye Name: 8-quinolyl 2-(2-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(2-nitrophenyl)thio]benzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-(2-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-nitrophenyl)thio]benzoic acid 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)C(=O)OC2=CC=CC3=C2N=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

InChI

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