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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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