2-(6-nitro-1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)thiazolidin-4-one CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)-4-thiazolidinone IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one Traditional Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)thiazolidin-4-one Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(S1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C(=O)N(C(S1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H16N2O6S/c25-21-12-31-22(17-10-19-20(29-13-28-19)11-18(17)24(26)27)23(21)14-6-8-16(9-7-14)30-15-4-2-1-3-5-15/h1-11,22H,12-13H2