(3,3-dimethyl-2-oxidanylidene-butyl) 2-(quinoxalin-6-ylcarbonylamino)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(quinoxalin-6-ylcarbonylamino)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(quinoxaline-6-carbonylamino)benzoate CAS Name: 2-[[oxo(6-quinoxalinyl)methyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(quinoxaline-6-carbonylamino)benzoate Traditional Name: 2-(quinoxaline-6-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=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=NC=CN=C3C=C2

InChI

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