(2S)-4-methyl-2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]valerate Formula: C12H16N3O5- MolecularWeight: 282.27254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=CC=C(N1C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-7(2)6-8(12(17)18)13-11(16)9-4-5-10(14(9)3)15(19)20/h4-5,7-8H,6H2,1-3H3,(H,13,16)(H,17,18)/p-1/t8-/m0/s1