[(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] benzoate

Systemtic Name: [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] benzoate Openeye Name: [(E)-[4-(2-phenylethynyl)phenyl]methyleneamino] benzoate CAS Name: benzoic acid [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] benzoate Traditional Name: benzoic acid [(E)-[4-(2-phenylethynyl)benzylidene]amino] ester Formula: C22H15NO2 MolecularWeight: 325.36

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C=N/OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H15NO2/c24-22(21-9-5-2-6-10-21)25-23-17-20-15-13-19(14-16-20)12-11-18-7-3-1-4-8-18/h1-10,13-17H/b23-17+