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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H14N2O6S/c1-11-2-4-12(5-3-11)18-20-13(9-28-18)8-25-19(22)14-6-16-17(27-10-26-16)7-15(14)21(23)24/h2-7,9H,8,10H2,1H3