methyl 2-[2-(4-nitrophenyl)ethynyl]benzoate

Systemtic Name: methyl 2-[2-(4-nitrophenyl)ethynyl]benzoate Openeye Name: methyl 2-[2-(4-nitrophenyl)ethynyl]benzoate CAS Name: 2-[2-(4-nitrophenyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-nitrophenyl)ethynyl]benzoate Traditional Name: 2-[2-(4-nitrophenyl)ethynyl]benzoic acid methyl ester Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO4/c1-21-16(18)15-5-3-2-4-13(15)9-6-12-7-10-14(11-8-12)17(19)20/h2-5,7-8,10-11H,1H3