[(Z)-[azanyl-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate

Systemtic Name: [(Z)-[azanyl-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate Openeye Name: [(Z)-[amino(p-tolyl)methylene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid [(Z)-[amino-(4-methylphenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate Traditional Name: 5-(2-phenylethynyl)nicotinic acid [(Z)-[amino(p-tolyl)methylene]amino] ester Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NOC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N/OC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3)/N

InChI

InChI=1S/C22H17N3O2/c1-16-7-11-19(12-8-16)21(23)25-27-22(26)20-13-18(14-24-15-20)10-9-17-5-3-2-4-6-17/h2-8,11-15H,1H3,(H2,23,25)