(2S,3S)-3-methyl-2-[(2-nitrophenyl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(2-nitrophenyl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(2-nitrobenzoyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(2-nitrophenyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(2-nitrobenzoyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(2-nitrobenzoyl)amino]valerate Formula: C13H15N2O5- MolecularWeight: 279.2686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-8(2)11(13(17)18)14-12(16)9-6-4-5-7-10(9)15(19)20/h4-8,11H,3H2,1-2H3,(H,14,16)(H,17,18)/p-1/t8-,11-/m0/s1