[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C18H11FN2O6S MolecularWeight: 402.353143

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C18H11FN2O6S/c19-11-3-1-10(2-4-11)17-20-12(8-28-17)7-25-18(22)13-5-15-16(27-9-26-15)6-14(13)21(23)24/h1-6,8H,7,9H2