(4-nitrophenyl)methyl (5R,6S)-3-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-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-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(5R)-5-methyl-3-phenyl-4H-isoxazol-5-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(5R)-5-methyl-3-phenyl-4H-isoxazol-5-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[(5R)-5-methyl-3-phenyl-2-isoxazolin-5-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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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(CC(=NO4)C5=CC=CC=C5)C)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-])[C@]4(CC(=NO4)C5=CC=CC=C5)C)O

InChI

InChI=1S/C26H25N3O7/c1-15(30)22-21-12-19(26(2)13-20(27-36-26)17-6-4-3-5-7-17)23(28(21)24(22)31)25(32)35-14-16-8-10-18(11-9-16)29(33)34/h3-11,15,21-22,30H,12-14H2,1-2H3/t15-,21-,22-,26-/m1/s1