2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(1-ethyl-4-nitro-pyrrol-2-yl)carbonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-2-methyl-pentanoic acid CAS Name: 2-[[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-2-methylpentanoic acid Traditional Name: 2-[(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]-2-methyl-valeric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C1=CC(=CN1CC)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)C1=CC(=CN1CC)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5/c1-4-6-13(3,12(18)19)14-11(17)10-7-9(16(20)21)8-15(10)5-2/h7-8H,4-6H2,1-3H3,(H,14,17)(H,18,19)