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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 5-nitro-2-phenylsulfanyl-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 5-nitro-2-phenylsulfanyl-benzoate CAS Name: 5-nitro-2-(phenylthio)benzoic 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] 5-nitro-2-phenylsulfanylbenzoate Traditional Name: 5-nitro-2-(phenylthio)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C23H17NO7S MolecularWeight: 451.44858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C23H17NO7S/c25-19(15-6-8-20-21(12-15)30-11-10-29-20)14-31-23(26)18-13-16(24(27)28)7-9-22(18)32-17-4-2-1-3-5-17/h1-9,12-13H,10-11,14H2