N-(4-chloranyl-3-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-phenylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-phenyl-acetamide Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5S/c23-17-8-6-15(12-18(17)25(27)28)24-22(26)21(14-4-2-1-3-5-14)31-16-7-9-19-20(13-16)30-11-10-29-19/h1-9,12-13,21H,10-11H2,(H,24,26)