4-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(3-chloro-4-fluoro-anilino)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(3-chloro-4-fluoro-anilino)methyl]-2-methoxy-6-nitro-phenolate Formula: C14H11ClFN2O4- MolecularWeight: 325.699543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClFN2O4/c1-22-13-5-8(4-12(14(13)19)18(20)21)7-17-9-2-3-11(16)10(15)6-9/h2-6,17,19H,7H2,1H3/p-1