(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylthiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylthiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H13NO6S/c1-9-2-3-13(23-9)15(17)21-7-11-5-12(16(18)19)4-10-6-20-8-22-14(10)11/h2-5H,6-8H2,1H3