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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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