4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-benzamide Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitro-benzamide CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-nitrobenzamide IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-nitrobenzamide Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-nitro-benzamide Formula: C16H13ClN2O5S MolecularWeight: 380.80282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O5S/c17-12-3-10-6-23-8-24-15(10)11(4-12)7-25-14-2-1-9(16(18)20)5-13(14)19(21)22/h1-5H,6-8H2,(H2,18,20)