6-[[(2R)-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)butanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2R)-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)butanoyl]amino]hexanoic acid Openeye Name: 6-[[(2R)-2-(5-nitro-2-oxo-1-pyridyl)butanoyl]amino]hexanoic acid CAS Name: 6-[[(2R)-2-(5-nitro-2-oxo-1-pyridinyl)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-[[(2R)-2-(5-nitro-2-oxopyridin-1-yl)butanoyl]amino]hexanoic acid Traditional Name: 6-[[(2R)-2-(2-keto-5-nitro-1-pyridyl)butanoyl]amino]hexanoic acid Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCCCC(=O)O)N1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)NCCCCCC(=O)O)N1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6/c1-2-12(15(22)16-9-5-3-4-6-14(20)21)17-10-11(18(23)24)7-8-13(17)19/h7-8,10,12H,2-6,9H2,1H3,(H,16,22)(H,20,21)/t12-/m1/s1