(4-tert-butylphenyl)methyl 3-chloranyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-chloranyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-chloro-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-tert-butylbenzyl) ester Formula: C18H20ClNO3 MolecularWeight: 333.8093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(CC3N2C(=O)C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(CC3N2C(=O)C3)Cl

InChI

InChI=1S/C18H20ClNO3/c1-18(2,3)12-6-4-11(5-7-12)10-23-17(22)16-14(19)8-13-9-15(21)20(13)16/h4-7,13H,8-10H2,1-3H3