2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20N2O5S/c1-12-8-15(16(21(23)24)9-13(12)2)20-19(22)11-27-14-4-5-17-18(10-14)26-7-3-6-25-17/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,20,22)