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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C16H11FN2O4 MolecularWeight: 314.267943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN2O4/c1-10-6-12(4-5-15(10)19(21)22)16(20)23-9-13-3-2-11(8-18)7-14(13)17/h2-7H,9H2,1H3