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

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-nitro-phenyl]ethanone Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c1-10(18)11-2-5-16(13(8-11)17(19)20)23-12-3-4-14-15(9-12)22-7-6-21-14/h2-5,8-9H,6-7H2,1H3