(2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C15H11NO7S MolecularWeight: 349.31534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C15H11NO7S/c17-11(14-2-1-5-24-14)8-23-15(18)9-6-12-13(22-4-3-21-12)7-10(9)16(19)20/h1-2,5-7H,3-4,8H2