(3,3-dimethyl-2-oxidanylidene-butyl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-15(2,3)13(17)8-21-14(18)12-7-9-6-10(16(19)20)4-5-11(9)22-12/h4-7H,8H2,1-3H3