tert-butyl 4-[(Z)-1-[1-cyanoethenyl(cyanomethyl)amino]but-2-en-2-yl]benzoate

Systemtic Name: tert-butyl 4-[(Z)-1-[1-cyanoethenyl(cyanomethyl)amino]but-2-en-2-yl]benzoate Openeye Name: tert-butyl 4-[(Z)-1-[[cyanomethyl(1-cyanovinyl)amino]methyl]prop-1-enyl]benzoate CAS Name: 4-[(Z)-1-[1-cyanoethenyl(cyanomethyl)amino]but-2-en-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(Z)-1-[1-cyanoethenyl(cyanomethyl)amino]but-2-en-2-yl]benzoate Traditional Name: 4-[(Z)-1-[[cyanomethyl(1-cyanovinyl)amino]methyl]prop-1-enyl]benzoic acid tert-butyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-6-16(14-23(12-11-21)15(2)13-22)17-7-9-18(10-8-17)19(24)25-20(3,4)5/h6-10H,2,12,14H2,1,3-5H3/b16-6+