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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C15H11BrFNO4 MolecularWeight: 368.154543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H11BrFNO4/c1-9-3-2-4-12(14(9)18(20)21)15(19)22-8-10-5-6-11(16)7-13(10)17/h2-7H,8H2,1H3