methyl 4-[(Z)-3-cyano-4,4-dimethyl-pent-2-en-2-yl]benzoate

Systemtic Name: methyl 4-[(Z)-3-cyano-4,4-dimethyl-pent-2-en-2-yl]benzoate Openeye Name: methyl 4-[(Z)-2-cyano-1,3,3-trimethyl-but-1-enyl]benzoate CAS Name: 4-[(Z)-3-cyano-4,4-dimethylpent-2-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-3-cyano-4,4-dimethylpent-2-en-2-yl]benzoate Traditional Name: 4-[(Z)-2-cyano-1,3,3-trimethyl-but-1-enyl]benzoic acid methyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2/c1-11(14(10-17)16(2,3)4)12-6-8-13(9-7-12)15(18)19-5/h6-9H,1-5H3/b14-11+