ethyl 1-[(2S)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(E)-3-(4-nitrophenyl)acryloyl]oxypropanoyl]isonipecotic acid ethyl ester Formula: C20H24N2O7 MolecularWeight: 404.41376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)OC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O7/c1-3-28-20(25)16-10-12-21(13-11-16)19(24)14(2)29-18(23)9-6-15-4-7-17(8-5-15)22(26)27/h4-9,14,16H,3,10-13H2,1-2H3/b9-6+/t14-/m0/s1