(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3,4-dimethyl-5-nitro-phenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H24N2O7S/c1-13-10-15(11-18(14(13)2)23(26)27)31(28,29)22-17-9-7-6-8-16(17)20(25)30-12-19(24)21(3,4)5/h6-11,22H,12H2,1-5H3