[5-nitro-2-(2-phenylethynyl)phenyl] ethanoate

Systemtic Name: [5-nitro-2-(2-phenylethynyl)phenyl] ethanoate Openeye Name: [5-nitro-2-(2-phenylethynyl)phenyl] acetate CAS Name: acetic acid [5-nitro-2-(2-phenylethynyl)phenyl] ester IUPAC Name: [5-nitro-2-(2-phenylethynyl)phenyl] acetate Traditional Name: acetic acid [5-nitro-2-(2-phenylethynyl)phenyl] ester Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])C#CC2=CC=CC=C2

InChI

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