ethyl (3S,3aS,6R,6aR)-6-[1-(4-fluorophenyl)-2-nitro-ethyl]-1-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole-3-carboxylate

Systemtic Name: ethyl (3S,3aS,6R,6aR)-6-[1-(4-fluorophenyl)-2-nitro-ethyl]-1-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole-3-carboxylate Openeye Name: ethyl (3S,3aS,6R,6aR)-6-[1-(4-fluorophenyl)-2-nitro-ethyl]-1-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole-3-carboxylate CAS Name: (3S,3aS,6R,6aR)-6-[1-(4-fluorophenyl)-2-nitroethyl]-1-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,3aS,6R,6aR)-6-[1-(4-fluorophenyl)-2-nitroethyl]-1-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole-3-carboxylate Traditional Name: (3S,3aS,6R,6aR)-6-[1-(4-fluorophenyl)-2-nitro-ethyl]-1-phenyl-3,3a,4,5,6,6a-hexahydrocyclopent[c]isoxazole-3-carboxylic acid ethyl ester Formula: C23H25FN2O5 MolecularWeight: 428.453403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(C2N(O1)C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]2N(O1)C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O5/c1-2-30-23(27)22-19-13-12-18(21(19)26(31-22)17-6-4-3-5-7-17)20(14-25(28)29)15-8-10-16(24)11-9-15/h3-11,18-22H,2,12-14H2,1H3/t18-,19+,20?,21-,22+/m1/s1