6-[3-(5-nitro-2-oxidanylidene-pyridin-1-yl)propanoylamino]hexanoate

Systemtic Name: 6-[3-(5-nitro-2-oxidanylidene-pyridin-1-yl)propanoylamino]hexanoate Openeye Name: 6-[3-(5-nitro-2-oxo-1-pyridyl)propanoylamino]hexanoate CAS Name: 6-[[3-(5-nitro-2-oxo-1-pyridinyl)-1-oxopropyl]amino]hexanoate IUPAC Name: 6-[3-(5-nitro-2-oxopyridin-1-yl)propanoylamino]hexanoate Traditional Name: 6-[3-(2-keto-5-nitro-1-pyridyl)propanoylamino]hexanoate Formula: C14H18N3O6- MolecularWeight: 324.30922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c18-12(15-8-3-1-2-4-14(20)21)7-9-16-10-11(17(22)23)5-6-13(16)19/h5-6,10H,1-4,7-9H2,(H,15,18)(H,20,21)/p-1