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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-3-ylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S/c17-14(3-10-1-2-23-8-10)21-7-12-5-13(16(18)19)4-11-6-20-9-22-15(11)12/h1-2,4-5,8H,3,6-7,9H2