4-carboxy-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)-3-pyridin-4-yl-hexan-2-imine oxide

Systemtic Name: 4-carboxy-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)-3-pyridin-4-yl-hexan-2-imine oxide Openeye Name: 4-carboxy-N,1-dihydroxy-1,5-dioxo-3-(4-pyridyl)hexan-2-imine oxide CAS Name: 4-carboxy-N,1-dihydroxy-1,5-dioxo-3-pyridin-4-yl-2-hexanimine oxide IUPAC Name: 4-carboxy-N,1-dihydroxy-1,5-dioxo-3-pyridin-4-ylhexan-2-imine oxide Traditional Name: 4-carboxy-N,1-dihydroxy-1,5-diketo-3-(4-pyridyl)hexan-2-imine oxide Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C(C(C1=CC=NC=C1)/C(=[N+](\O)/[O-])/C(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O7/c1-6(15)8(11(16)17)9(7-2-4-13-5-3-7)10(12(18)19)14(20)21/h2-5,8-9H,1H3,(H,16,17)(H,18,19)(H,20,21)