tert-butyl N-[2-methyl-4-[(E)-3-oxidanylidenebut-1-enyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-methyl-4-[(E)-3-oxidanylidenebut-1-enyl]phenyl]carbamate Openeye Name: tert-butyl N-[2-methyl-4-[(E)-3-oxobut-1-enyl]phenyl]carbamate CAS Name: N-[2-methyl-4-[(E)-3-oxobut-1-enyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methyl-4-[(E)-3-oxobut-1-enyl]phenyl]carbamate Traditional Name: N-[4-[(E)-3-ketobut-1-enyl]-2-methyl-phenyl]carbamic acid tert-butyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO3/c1-11-10-13(7-6-12(2)18)8-9-14(11)17-15(19)20-16(3,4)5/h6-10H,1-5H3,(H,17,19)/b7-6+