3-tert-butyl-2,6-bis(oxidanyl)-5-quinoxalin-2-ylcarbonyl-benzoic acid

Systemtic Name: 3-tert-butyl-2,6-bis(oxidanyl)-5-quinoxalin-2-ylcarbonyl-benzoic acid Openeye Name: 3-tert-butyl-2,6-dihydroxy-5-(quinoxaline-2-carbonyl)benzoic acid CAS Name: 3-tert-butyl-2,6-dihydroxy-5-[oxo(2-quinoxalinyl)methyl]benzoic acid IUPAC Name: 3-tert-butyl-2,6-dihydroxy-5-(quinoxaline-2-carbonyl)benzoic acid Traditional Name: 3-tert-butyl-2,6-dihydroxy-5-(quinoxaline-2-carbonyl)benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-20(2,3)11-8-10(17(24)15(18(11)25)19(26)27)16(23)14-9-21-12-6-4-5-7-13(12)22-14/h4-9,24-25H,1-3H3,(H,26,27)