[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(2-phenylethynyl)benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(2-phenylethynyl)benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-(2-phenylethynyl)benzoate CAS Name: 3-(2-phenylethynyl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-(2-phenylethynyl)benzoate Traditional Name: 3-(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(=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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