ethyl (2S)-2-[[(2S)-1-(4-nitrophenoxy)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-(4-nitrophenoxy)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl (2S)-2-[[(1S)-1-methyl-2-(4-nitrophenoxy)-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[(2S)-1-(4-nitrophenoxy)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-(4-nitrophenoxy)-1-oxopropan-2-yl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[(1S)-2-keto-1-methyl-2-(4-nitrophenoxy)ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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