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

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C17H11N3O6S MolecularWeight: 385.35074

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O6S/c21-17(11-5-14-15(26-9-25-14)6-13(11)20(22)23)24-7-10-8-27-16(19-10)12-3-1-2-4-18-12/h1-6,8H,7,9H2