(4-bromanyl-2-fluoranyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C15H12BrFN2O4 MolecularWeight: 383.169183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrFN2O4/c1-18-13-5-3-9(6-14(13)19(21)22)15(20)23-8-10-2-4-11(16)7-12(10)17/h2-7,18H,8H2,1H3