(2R)-2-[[(2S)-1-ethoxy-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-ethoxy-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1S)-2-ethoxy-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-1-ethoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-ethoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1S)-2-ethoxy-2-keto-1-(4-nitrobenzyl)ethyl]amino]propionic acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N[C@H](C)C(=O)O

InChI

InChI=1S/C14H18N2O6/c1-3-22-14(19)12(15-9(2)13(17)18)8-10-4-6-11(7-5-10)16(20)21/h4-7,9,12,15H,3,8H2,1-2H3,(H,17,18)/t9-,12+/m1/s1