[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(2-phenylethynyl)benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(2-phenylethynyl)benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-(2-phenylethynyl)benzoate Traditional Name: 4-(2-phenylethynyl)benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C23H15NO5 MolecularWeight: 385.3689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO5/c25-22(19-12-14-21(15-13-19)24(27)28)16-29-23(26)20-10-8-18(9-11-20)7-6-17-4-2-1-3-5-17/h1-5,8-15H,16H2