(4-nitrophenyl)methyl (5R,6S)-6-ethyl-3-methoxy-7-oxidanylidene-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (5R,6S)-6-ethyl-3-methoxy-7-oxidanylidene-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5R,6S)-6-ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylate CAS Name: (5R,6S)-6-ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5R,6S)-6-ethyl-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylate Traditional Name: (5R,6S)-6-ethyl-7-keto-3-methoxy-1-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N(C2)C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC[C@H]1[C@H]2CC(=C(N(C2)C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O6/c1-3-14-12-8-15(25-2)16(19(9-12)17(14)21)18(22)26-10-11-4-6-13(7-5-11)20(23)24/h4-7,12,14H,3,8-10H2,1-2H3/t12-,14-/m0/s1