(2S)-3-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-7(2)11(13(17)18)14-12(16)9-4-5-10(15(19)20)8(3)6-9/h4-7,11H,1-3H3,(H,14,16)(H,17,18)/t11-/m0/s1