3-[2-(3-aminophenyl)ethynyl]benzoate

Systemtic Name: 3-[2-(3-aminophenyl)ethynyl]benzoate Openeye Name: 3-[2-(3-aminophenyl)ethynyl]benzoate CAS Name: 3-[2-(3-aminophenyl)ethynyl]benzoate IUPAC Name: 3-[2-(3-aminophenyl)ethynyl]benzoate Traditional Name: 3-[2-(3-aminophenyl)ethynyl]benzoate Formula: C15H10NO2- MolecularWeight: 236.2454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO2/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17)18/h1-6,9-10H,16H2,(H,17,18)/p-1