(4-nitrophenyl)methyl (5R,6S)-3-(3,6-dihydro-2H-pyran-4-yl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (5R,6S)-3-(3,6-dihydro-2H-pyran-4-yl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5R,6S)-3-(3,6-dihydro-2H-pyran-4-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-3-(3,6-dihydro-2H-pyran-4-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5R,6S)-3-(3,6-dihydro-2H-pyran-4-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-3-(3,6-dihydro-2H-pyran-4-yl)-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CCOCC4)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CCOCC4)O

InChI

InChI=1S/C21H22N2O7/c1-12(24)18-17-10-16(14-6-8-29-9-7-14)19(22(17)20(18)25)21(26)30-11-13-2-4-15(5-3-13)23(27)28/h2-6,12,17-18,24H,7-11H2,1H3/t12-,17-,18-/m1/s1