tert-butyl (2E)-5-cyano-2-[(2-methylpropan-2-yl)oxycarbonylimino]pyrimidine-1-carboxylate

Systemtic Name: tert-butyl (2E)-5-cyano-2-[(2-methylpropan-2-yl)oxycarbonylimino]pyrimidine-1-carboxylate Openeye Name: tert-butyl (2E)-2-tert-butoxycarbonylimino-5-cyano-pyrimidine-1-carboxylate CAS Name: (2E)-5-cyano-2-[(2-methylpropan-2-yl)oxy-oxomethyl]imino-1-pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-5-cyano-2-[(2-methylpropan-2-yl)oxycarbonylimino]pyrimidine-1-carboxylate Traditional Name: (2E)-2-tert-butoxycarbonylimino-5-cyano-pyrimidine-1-carboxylic acid tert-butyl ester Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C1N=CC(=CN1C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C/1\N=CC(=CN1C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C15H20N4O4/c1-14(2,3)22-12(20)18-11-17-8-10(7-16)9-19(11)13(21)23-15(4,5)6/h8-9H,1-6H3/b18-11+