[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [(1S)-2-keto-1-methyl-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-3-7-19(16-8-5-4-6-9-16)22-21(25)15(2)29-20(24)14-28-18-12-10-17(11-13-18)23(26)27/h4-6,8-13,15,19H,3,7,14H2,1-2H3,(H,22,25)/t15-,19-/m0/s1