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

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionamide Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H15ClN2O5S/c1-10(26-12-3-5-15-16(9-12)25-7-6-24-15)17(21)19-14-4-2-11(20(22)23)8-13(14)18/h2-5,8-10H,6-7H2,1H3,(H,19,21)/t10-/m1/s1