(phenylmethyl) 3-diphenylphosphoryl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-diphenylphosphoryl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-diphenylphosphoryl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-diphenylphosphoryl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-diphenylphosphoryl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-diphenylphosphoryl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C26H22NO4P MolecularWeight: 443.430941

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC(=O)N2C(=C1P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H22NO4P/c28-24-17-20-16-23(25(27(20)24)26(29)31-18-19-10-4-1-5-11-19)32(30,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,20H,16-18H2