(3-chloranyl-4-fluoranyl-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (3-chloro-4-fluoro-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-chloro-4-fluorophenyl) ester IUPAC Name: (3-chloro-4-fluorophenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3-chloro-4-fluoro-phenyl) ester Formula: C14H9ClFNO4 MolecularWeight: 309.676963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClFNO4/c1-8-6-9(2-5-13(8)17(19)20)14(18)21-10-3-4-12(16)11(15)7-10/h2-7H,1H3