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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-11(25-14-5-3-13(4-6-14)19(21)22)17(20)18-12-2-7-15-16(10-12)24-9-8-23-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)