(2S)-3-methyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butyrate Formula: C10H12N3O5- MolecularWeight: 254.21938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O5/c1-5(2)8(10(15)16)12-9(14)6-3-4-7(11-6)13(17)18/h3-5,8,11H,1-2H3,(H,12,14)(H,15,16)/p-1/t8-/m0/s1