ethyl (2S)-1-[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-[(E)-2-[(E)-cinnamyl]-2-nitro-5-phenyl-pent-4-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E)-2-nitro-1-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E)-2-[(E)-cinnamyl]-2-nitro-5-phenyl-pent-4-enoyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)C(CC=CC2=CC=CC=C2)(CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1N(CCC1)C(=O)C([N+](=O)[O-])(C/C=C/C2=CC=CC=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5/c1-2-34-25(30)24-18-11-21-28(24)26(31)27(29(32)33,19-9-16-22-12-5-3-6-13-22)20-10-17-23-14-7-4-8-15-23/h3-10,12-17,24H,2,11,18-21H2,1H3/b16-9+,17-10+/t24-/m0/s1