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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-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 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C17H17NO6S/c1-3-11-6-15(25-10(11)2)17(19)23-8-13-5-14(18(20)21)4-12-7-22-9-24-16(12)13/h4-6H,3,7-9H2,1-2H3