(4-nitrophenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid (4-nitrobenzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-14(2)19(21-18(23)13-27-17-6-4-3-5-7-17)20(24)28-12-15-8-10-16(11-9-15)22(25)26/h3-11,14,19H,12-13H2,1-2H3,(H,21,23)/t19-/m0/s1