6-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]hexanoic acid Openeye Name: 6-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]hexanoic acid CAS Name: 6-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]hexanoic acid Traditional Name: 6-[(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:

CN1C(=CC=C1[N+](=O)[O-])C(=O)NCCCCCC(=O)O

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)NCCCCCC(=O)O

InChI

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