2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-11-2-3-12(8-14(11)18(20)21)15(19)10-24-13-4-5-16-17(9-13)23-7-6-22-16/h2-5,8-9H,6-7,10H2,1H3