(phenylmethyl) (2S)-1-(2-nitro-2-prop-2-enyl-pent-4-enoyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(2-nitro-2-prop-2-enyl-pent-4-enoyl)pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(2-allyl-2-nitro-pent-4-enoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-nitro-1-oxo-2-prop-2-enylpent-4-enyl)-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-nitro-2-prop-2-enylpent-4-enoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-allyl-2-nitro-pent-4-enoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCC(CC=C)(C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-3-12-20(13-4-2,22(25)26)19(24)21-14-8-11-17(21)18(23)27-15-16-9-6-5-7-10-16/h3-7,9-10,17H,1-2,8,11-15H2/t17-/m0/s1