[(1S)-1-(3-nitrophenyl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O5/c1-15(17-8-5-9-18(14-17)22(25)26)27-20(24)12-13-21-19(23)11-10-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,21,23)/b11-10+/t15-/m0/s1