(phenylmethyl) 3-chloranyl-6-(1-hydroxyethyl)-6-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-chloranyl-6-(1-hydroxyethyl)-6-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-chloro-6-(1-hydroxyethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-chloro-6-(1-hydroxyethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-chloro-6-(1-hydroxyethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-chloro-6-(1-hydroxyethyl)-7-keto-6-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)Cl)C)O

Isomeric SMILES

CC(C1(C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)Cl)C)O

InChI

InChI=1S/C17H18ClNO4/c1-10(20)17(2)13-8-12(18)14(19(13)16(17)22)15(21)23-9-11-6-4-3-5-7-11/h3-7,10,13,20H,8-9H2,1-2H3