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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-7(2)10(13(17)18)14-12(16)9-6-4-5-8(3)11(9)15(19)20/h4-7,10H,1-3H3,(H,14,16)(H,17,18)/p-1/t10-/m0/s1