tert-butyl 8-oxidanylidene-3-(phenylmethyl)-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 8-oxidanylidene-3-(phenylmethyl)-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-benzyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-(phenylmethyl)-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-benzyl-8-keto-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(COC2N1C(=O)C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(COC2N1C(=O)C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21NO4/c1-18(2,3)23-17(21)16-13(9-12-7-5-4-6-8-12)11-22-15-10-14(20)19(15)16/h4-8,15H,9-11H2,1-3H3