methyl 2-[2-(4-fluorophenyl)ethynyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethynyl]-5-nitro-benzoate Openeye Name: methyl 2-[2-(4-fluorophenyl)ethynyl]-5-nitro-benzoate CAS Name: 2-[2-(4-fluorophenyl)ethynyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)ethynyl]-5-nitrobenzoate Traditional Name: 2-[2-(4-fluorophenyl)ethynyl]-5-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=CC(=C1)[N+](=O)[O-])C#CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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