2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate

Systemtic Name: 2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C21H13FN3O4- MolecularWeight: 390.344023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14FN3O4/c1-12-8-14(20(26)18(9-12)25(27)28)11-23-16-6-7-19-17(10-16)24-21(29-19)13-2-4-15(22)5-3-13/h2-11,26H,1H3/p-1