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

Systemtic Name: (phenylmethyl) (2S)-2-[[(E)-but-2-enoyl]-[(2-nitrophenyl)methyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[(E)-but-2-enoyl]-[(2-nitrophenyl)methyl]amino]propanoate CAS Name: (2S)-2-[(2-nitrophenyl)methyl-[(E)-1-oxobut-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(E)-but-2-enoyl]-[(2-nitrophenyl)methyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-but-2-enoyl]-(2-nitrobenzyl)amino]propionic acid benzyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(CC1=CC=CC=C1[N+](=O)[O-])C(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C/C=C/C(=O)N(CC1=CC=CC=C1[N+](=O)[O-])[C@@H](C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-3-9-20(24)22(14-18-12-7-8-13-19(18)23(26)27)16(2)21(25)28-15-17-10-5-4-6-11-17/h3-13,16H,14-15H2,1-2H3/b9-3+/t16-/m0/s1