(phenylmethyl) (2S)-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E)-3-(4-nitrophenyl)acryloyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c24-20(13-10-16-8-11-18(12-9-16)23(26)27)22-14-4-7-19(22)21(25)28-15-17-5-2-1-3-6-17/h1-3,5-6,8-13,19H,4,7,14-15H2/b13-10+/t19-/m0/s1