[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester Formula: C24H18N2O7S MolecularWeight: 478.47392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N2O7S/c27-23(12-31-24(28)16-10-20-21(33-14-32-20)11-18(16)26(29)30)25-17-8-4-5-9-22(17)34-13-19(25)15-6-2-1-3-7-15/h1-11,19H,12-14H2