tert-butyl (6R,7S)-7-benzamido-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (6R,7S)-7-benzamido-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-7-benzamido-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-7-benzamido-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6R,7S)-7-benzamido-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-7-benzamido-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CCCC2N1C(=O)C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CCC[C@H]2N1C(=O)[C@H]2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)14-11-7-10-13-15(17(23)21(13)14)20-16(22)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,7,10H2,1-3H3,(H,20,22)/t13-,15+/m1/s1