4-[[(3-fluorophenyl)amino]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[(3-fluorophenyl)amino]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(3-fluoroanilino)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(3-fluoroanilino)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(3-fluoroanilino)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(3-fluoroanilino)methyl]-2-methoxy-6-nitro-phenolate Formula: C14H12FN2O4- MolecularWeight: 291.254483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])CNC2=CC(=CC=C2)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])CNC2=CC(=CC=C2)F

InChI

InChI=1S/C14H13FN2O4/c1-21-13-6-9(5-12(14(13)18)17(19)20)8-16-11-4-2-3-10(15)7-11/h2-7,16,18H,8H2,1H3/p-1