(2S)-3-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(2-methyl-3-nitro-benzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-methyl-3-nitro-benzoyl)amino]butyrate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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