O5-tert-butyl O1-ethyl pentanedioate; ethyl 4-(dicyanomethylamino)benzoate

Systemtic Name: O5-tert-butyl O1-ethyl pentanedioate; ethyl 4-(dicyanomethylamino)benzoate Openeye Name: O5-tert-butyl O1-ethyl pentanedioate; ethyl 4-(dicyanomethylamino)benzoate CAS Name: 4-(dicyanomethylamino)benzoic acid ethyl ester; pentanedioic acid O5-tert-butyl ester O1-ethyl ester IUPAC Name: 5-O-tert-butyl 1-O-ethyl pentanedioate; ethyl 4-(dicyanomethylamino)benzoate Traditional Name: 4-(dicyanomethylamino)benzoic acid ethyl ester; glutaric acid O5-tert-butyl ester O1-ethyl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)OC(C)(C)C.CCOC(=O)C1=CC=C(C=C1)NC(C#N)C#N

Isomeric SMILES

CCOC(=O)CCCC(=O)OC(C)(C)C.CCOC(=O)C1=CC=C(C=C1)NC(C#N)C#N

InChI

InChI=1S/C12H11N3O2.C11H20O4/c1-2-17-12(16)9-3-5-10(6-4-9)15-11(7-13)8-14;1-5-14-9(12)7-6-8-10(13)15-11(2,3)4/h3-6,11,15H,2H2,1H3;5-8H2,1-4H3