3-(3-nitrophenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide

Systemtic Name: 3-(3-nitrophenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide Openeye Name: N,1-dihydroxy-3-(3-nitrophenyl)-1,5-dioxo-hexan-2-imine oxide CAS Name: N,1-dihydroxy-3-(3-nitrophenyl)-1,5-dioxo-2-hexanimine oxide IUPAC Name: N,1-dihydroxy-3-(3-nitrophenyl)-1,5-dioxohexan-2-imine oxide Traditional Name: N,1-dihydroxy-1,5-diketo-3-(3-nitrophenyl)hexan-2-imine oxide Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7/c1-7(15)5-10(11(12(16)17)14(20)21)8-3-2-4-9(6-8)13(18)19/h2-4,6,10H,5H2,1H3,(H,16,17)(H,20,21)