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

Systemtic Name: (2S)-3-methyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]butyrate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8(2)12(13(17)18)14-11(16)7-9-3-5-10(6-4-9)15(19)20/h3-6,8,12H,7H2,1-2H3,(H,14,16)(H,17,18)/p-1/t12-/m0/s1