[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 5-nitro-2-(p-tolylsulfanyl)benzoate CAS Name: 2-[(4-methylphenyl)thio]-5-nitrobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(4-methylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-(p-tolylthio)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C24H19NO7S MolecularWeight: 465.47516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H19NO7S/c1-15-2-6-18(7-3-15)33-23-9-5-17(25(28)29)13-19(23)24(27)32-14-20(26)16-4-8-21-22(12-16)31-11-10-30-21/h2-9,12-13H,10-11,14H2,1H3