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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

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

InChI

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