(phenylmethyl) (2S)-2-[(2-nitrophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-nitrophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[(2-nitrophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[(2-nitrophenyl)methyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-nitrophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[(2-nitrobenzyl)-[(E)-3-phenylacryloyl]amino]propionic acid benzyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2[N+](=O)[O-])C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2[N+](=O)[O-])C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O5/c1-20(26(30)33-19-22-12-6-3-7-13-22)27(18-23-14-8-9-15-24(23)28(31)32)25(29)17-16-21-10-4-2-5-11-21/h2-17,20H,18-19H2,1H3/b17-16+/t20-/m0/s1