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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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