(3,3-dimethyl-2-oxidanylidene-butyl) 2-(quinoxalin-2-ylcarbonylamino)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(quinoxalin-2-ylcarbonylamino)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(quinoxaline-2-carbonylamino)benzoate CAS Name: 2-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(quinoxaline-2-carbonylamino)benzoate Traditional Name: 2-(quinoxaline-2-carbonylamino)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H21N3O4/c1-22(2,3)19(26)13-29-21(28)14-8-4-5-9-15(14)25-20(27)18-12-23-16-10-6-7-11-17(16)24-18/h4-12H,13H2,1-3H3,(H,25,27)