(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-thiophen-2-ylpropanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-thiophen-2-ylpropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c18-15(4-3-14-2-1-5-24-14)22-9-12-7-13(17(19)20)6-11-8-21-10-23-16(11)12/h1-2,5-7H,3-4,8-10H2