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

Systemtic Name: [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] 4-chloranylbenzoate Openeye Name: [(E)-[4-(2-phenylethynyl)phenyl]methyleneamino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(E)-[4-(2-phenylethynyl)benzylidene]amino] ester Formula: C22H14ClNO2 MolecularWeight: 359.80506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClNO2/c23-21-14-12-20(13-15-21)22(25)26-24-16-19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-16H/b24-16+