4-[(2,6-ditert-butylpyridin-4-yl)carbonylamino]-2-fluoranyl-6-nitro-benzoic acid

Systemtic Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbonylamino]-2-fluoranyl-6-nitro-benzoic acid Openeye Name: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]-2-fluoro-6-nitro-benzoic acid CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)-oxomethyl]amino]-2-fluoro-6-nitrobenzoic acid IUPAC Name: 4-[(2,6-ditert-butylpyridine-4-carbonyl)amino]-2-fluoro-6-nitrobenzoic acid Traditional Name: 4-[(2,6-ditert-butylisonicotinoyl)amino]-2-fluoro-6-nitro-benzoic acid Formula: C21H24FN3O5 MolecularWeight: 417.430763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2=CC(=C(C(=C2)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2=CC(=C(C(=C2)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O5/c1-20(2,3)15-7-11(8-16(24-15)21(4,5)6)18(26)23-12-9-13(22)17(19(27)28)14(10-12)25(29)30/h7-10H,1-6H3,(H,23,26)(H,27,28)