2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-5-(pyridin-3-ylcarbonylamino)phenolate

Systemtic Name: 2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-5-(pyridin-3-ylcarbonylamino)phenolate Openeye Name: 2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-5-(pyridine-3-carbonylamino)phenolate CAS Name: 2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-5-[[oxo(3-pyridinyl)methyl]amino]phenolate IUPAC Name: 2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-5-(pyridine-3-carbonylamino)phenolate Traditional Name: 2-(5,7-dimethyl-1,3-benzoxazol-2-yl)-5-nicotinamido-phenolate Formula: C21H16N3O3- MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)NC(=O)C4=CN=CC=C4)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)NC(=O)C4=CN=CC=C4)[O-])C

InChI

InChI=1S/C21H17N3O3/c1-12-8-13(2)19-17(9-12)24-21(27-19)16-6-5-15(10-18(16)25)23-20(26)14-4-3-7-22-11-14/h3-11,25H,1-2H3,(H,23,26)/p-1