(2-bromanyl-4-fluoranyl-phenyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-bromo-4-fluoro-phenyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-bromo-4-fluoro-phenyl) ester Formula: C20H14BrFN2O4 MolecularWeight: 445.238563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrFN2O4/c21-16-11-15(22)7-9-19(16)28-20(25)14-6-8-17(18(10-14)24(26)27)23-12-13-4-2-1-3-5-13/h1-11,23H,12H2