ethyl 3-[(1S,4R,5R)-5-bicyclo[2.2.2]oct-2-enyl]-2-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: ethyl 3-[(1S,4R,5R)-5-bicyclo[2.2.2]oct-2-enyl]-2-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: ethyl 3-[(1S,4R,5R)-5-bicyclo[2.2.2]oct-2-enyl]-2-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[(1S,4R,5R)-5-bicyclo[2.2.2]oct-2-enyl]-2-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1S,4R,5R)-5-bicyclo[2.2.2]oct-2-enyl]-2-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(1S,4R,5R)-5-bicyclo[2.2.2]oct-2-enyl]-2-[(4-nitrobenzoyl)amino]propionic acid ethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CC2CCC1C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C[C@H]1C[C@@H]2CC[C@H]1C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-2-27-20(24)18(12-16-11-13-3-5-14(16)6-4-13)21-19(23)15-7-9-17(10-8-15)22(25)26/h3,5,7-10,13-14,16,18H,2,4,6,11-12H2,1H3,(H,21,23)/t13-,14+,16+,18?/m0/s1