tert-butyl 4-[(E)-2-(6-azanyl-5-cyano-pyridin-3-yl)ethenyl]benzoate

Systemtic Name: tert-butyl 4-[(E)-2-(6-azanyl-5-cyano-pyridin-3-yl)ethenyl]benzoate Openeye Name: tert-butyl 4-[(E)-2-(6-amino-5-cyano-3-pyridyl)vinyl]benzoate CAS Name: 4-[(E)-2-(6-amino-5-cyano-3-pyridinyl)ethenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-(6-amino-5-cyanopyridin-3-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(6-amino-5-cyano-3-pyridyl)vinyl]benzoic acid tert-butyl ester Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-19(2,3)24-18(23)15-8-6-13(7-9-15)4-5-14-10-16(11-20)17(21)22-12-14/h4-10,12H,1-3H3,(H2,21,22)/b5-4+