(2-oxidanylidene-2-propan-2-yloxy-ethyl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO6S/c1-8(2)21-13(16)7-20-14(17)12-6-9-5-10(15(18)19)3-4-11(9)22-12/h3-6,8H,7H2,1-2H3