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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-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=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c18-15(2-1-11-3-4-24-9-11)22-8-13-6-14(17(19)20)5-12-7-21-10-23-16(12)13/h3-6,9H,1-2,7-8,10H2