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

Systemtic Name: (phenylmethyl) (2S)-1-[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C32H32N2O5 MolecularWeight: 524.60688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC=CC2=CC=CC=C2)(CC=CC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@@H](C1)C(=O)OCC2=CC=CC=C2)C(=O)C([N+](=O)[O-])(C/C=C/C3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C32H32N2O5/c35-30(39-25-28-17-8-3-9-18-28)29-21-12-24-33(29)31(36)32(34(37)38,22-10-19-26-13-4-1-5-14-26)23-11-20-27-15-6-2-7-16-27/h1-11,13-20,29H,12,21-25H2/b19-10+,20-11+/t29-/m0/s1