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

Systemtic Name: methyl 4-[(Z)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-16(2,3)14(18)13(10-17)9-11-5-7-12(8-6-11)15(19)20-4/h5-9H,1-4H3/b13-9-