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

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

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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=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C=N/OC(=O)C3=CC=CC=C3Cl

InChI

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