(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-19(2,3)17(22)12-28-18(23)15-9-4-5-10-16(15)20-29(26,27)14-8-6-7-13(11-14)21(24)25/h4-11,20H,12H2,1-3H3