2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]hexanoic acid Openeye Name: 2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]hexanoic acid CAS Name: 2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]hexanoic acid Traditional Name: 2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]hexanoic acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5/c1-3-4-5-8(12(17)18)13-11(16)9-6-7-10(14(9)2)15(19)20/h6-8H,3-5H2,1-2H3,(H,13,16)(H,17,18)