4-[(Z)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]benzoate

Systemtic Name: 4-[(Z)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]benzoate Openeye Name: 4-[(Z)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]benzoate CAS Name: 4-[(Z)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate IUPAC Name: 4-[(Z)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]benzoate Traditional Name: 4-[(Z)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]benzoate Formula: C15H14NO3- MolecularWeight: 256.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)C(=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C\C1=CC=C(C=C1)C(=O)[O-])/C#N

InChI

InChI=1S/C15H15NO3/c1-15(2,3)13(17)12(9-16)8-10-4-6-11(7-5-10)14(18)19/h4-8H,1-3H3,(H,18,19)/p-1/b12-8-