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

Systemtic Name: (phenylmethyl) (2S)-2-[(2-nitrophenyl)methyl-prop-2-enoyl-amino]propanoate Openeye Name: benzyl (2S)-2-[(2-nitrophenyl)methyl-prop-2-enoyl-amino]propanoate CAS Name: (2S)-2-[(2-nitrophenyl)methyl-(1-oxoprop-2-enyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-nitrophenyl)methyl-prop-2-enoylamino]propanoate Traditional Name: (2S)-2-[acryloyl-(2-nitrobenzyl)amino]propionic acid benzyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-3-19(23)21(13-17-11-7-8-12-18(17)22(25)26)15(2)20(24)27-14-16-9-5-4-6-10-16/h3-12,15H,1,13-14H2,2H3/t15-/m0/s1