[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C23H18N2O7S MolecularWeight: 466.46322

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O7S/c26-22(24-17-8-4-5-9-21(17)33-15-6-2-1-3-7-15)14-32-23(27)16-12-19-20(31-11-10-30-19)13-18(16)25(28)29/h1-9,12-13H,10-11,14H2,(H,24,26)