methyl 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoate Openeye Name: methyl 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoate CAS Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)ethynyl]-4-nitrobenzoate Traditional Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoic acid methyl ester Formula: C16H10FNO4 MolecularWeight: 299.253303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C#CC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H10FNO4/c1-22-16(19)15-9-8-14(18(20)21)10-12(15)5-2-11-3-6-13(17)7-4-11/h3-4,6-10H,1H3