2-(6-chloranyl-3-nitro-4-phenyl-quinolin-2-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-(6-chloranyl-3-nitro-4-phenyl-quinolin-2-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[(6-chloro-3-nitro-4-phenyl-2-quinolyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[(6-chloro-3-nitro-4-phenyl-2-quinolinyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-(6-chloro-3-nitro-4-phenylquinolin-2-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[(6-chloro-3-nitro-4-phenyl-2-quinolyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C25H17ClN2O5S MolecularWeight: 492.93088

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C(=C4C=C(C=CC4=N3)Cl)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C(=C4C=C(C=CC4=N3)Cl)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17ClN2O5S/c26-17-7-8-19-18(13-17)23(15-4-2-1-3-5-15)24(28(30)31)25(27-19)34-14-20(29)16-6-9-21-22(12-16)33-11-10-32-21/h1-9,12-13H,10-11,14H2