(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methylthiazole-5-carboxylate CAS Name: 4-methyl-5-thiazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methylthiazole-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=C(SC=N1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H12N2O6S/c1-8-13(23-6-15-8)14(17)21-5-10-3-11(16(18)19)2-9-4-20-7-22-12(9)10/h2-3,6H,4-5,7H2,1H3