tert-butyl 4-(4-chloranyl-2-cyano-phenyl)-4H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chloranyl-2-cyano-phenyl)-4H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-2-cyano-phenyl)-4H-pyridine-1-carboxylate CAS Name: 4-(4-chloro-2-cyanophenyl)-4H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-2-cyanophenyl)-4H-pyridine-1-carboxylate Traditional Name: 4-(4-chloro-2-cyano-phenyl)-4H-pyridine-1-carboxylic acid tert-butyl ester Formula: C17H17ClN2O2 MolecularWeight: 316.78208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC(C=C1)C2=C(C=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC(C=C1)C2=C(C=C(C=C2)Cl)C#N

InChI

InChI=1S/C17H17ClN2O2/c1-17(2,3)22-16(21)20-8-6-12(7-9-20)15-5-4-14(18)10-13(15)11-19/h4-10,12H,1-3H3