2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N2O6S/c1-11(27-13-4-6-16-17(10-13)26-8-7-25-16)18(21)19-14-9-12(20(22)23)3-5-15(14)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)