N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C17H15ClN2O5S MolecularWeight: 394.8294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1Cl)OCCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1Cl)OCCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c1-10(26-12-4-2-11(3-5-12)20(22)23)17(21)19-14-9-16-15(8-13(14)18)24-6-7-25-16/h2-5,8-10H,6-7H2,1H3,(H,19,21)