ethyl (2S)-2-ethyl-3-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]imino-butanoate

Systemtic Name: ethyl (2S)-2-ethyl-3-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]imino-butanoate Openeye Name: ethyl (2S)-2-ethyl-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]imino-butanoate CAS Name: (2S)-2-ethyl-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]iminobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-ethyl-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]iminobutanoate Traditional Name: (2S)-2-ethyl-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]imino-butyric acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NCC(C1=CC=C(C=C1)[N+](=O)[O-])O)C)C(=O)OCC

Isomeric SMILES

CC[C@@H](C(=NC[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)C)C(=O)OCC

InChI

InChI=1S/C16H22N2O5/c1-4-14(16(20)23-5-2)11(3)17-10-15(19)12-6-8-13(9-7-12)18(21)22/h6-9,14-15,19H,4-5,10H2,1-3H3/t14-,15-/m0/s1