(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20N2O6S/c1-12(28-14-5-7-16-18(11-14)27-9-3-8-26-16)19(22)20-15-6-4-13(21(23)24)10-17(15)25-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,22)/t12-/m1/s1