(2S,3S)-2-[2-(4-nitrophenyl)ethanoylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[2-(4-nitrophenyl)ethanoylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[2-(4-nitrophenyl)acetyl]amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[2-(4-nitrophenyl)acetyl]amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[2-(4-nitrophenyl)acetyl]amino]butyrate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-7(15)11(12(17)18)13-10(16)6-8-2-4-9(5-3-8)14(19)20/h2-5,7,11,15H,6H2,1H3,(H,13,16)(H,17,18)/p-1/t7-,11-/m0/s1