(phenylmethyl) 7-oxidanylidene-6-(phenylcarbonyl)-1,6-diazabicyclo[3.2.1]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 7-oxidanylidene-6-(phenylcarbonyl)-1,6-diazabicyclo[3.2.1]oct-2-ene-2-carboxylate Openeye Name: benzyl 6-benzoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-ene-2-carboxylate CAS Name: 6-benzoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-benzoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-ene-2-carboxylate Traditional Name: 6-benzoyl-7-keto-1,6-diazabicyclo[3.2.1]oct-2-ene-2-carboxylic acid benzyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2CC1N(C2=O)C(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C=C(N2CC1N(C2=O)C(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4/c24-19(16-9-5-2-6-10-16)23-17-11-12-18(22(13-17)21(23)26)20(25)27-14-15-7-3-1-4-8-15/h1-10,12,17H,11,13-14H2