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

Systemtic Name: 4-carboxy-3-(4-nitrophenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide Openeye Name: 4-carboxy-N,1-dihydroxy-3-(4-nitrophenyl)-1,5-dioxo-hexan-2-imine oxide CAS Name: 4-carboxy-N,1-dihydroxy-3-(4-nitrophenyl)-1,5-dioxo-2-hexanimine oxide IUPAC Name: 4-carboxy-N,1-dihydroxy-3-(4-nitrophenyl)-1,5-dioxohexan-2-imine oxide Traditional Name: 4-carboxy-N,1-dihydroxy-1,5-diketo-3-(4-nitrophenyl)hexan-2-imine oxide Formula: C13H12N2O9 MolecularWeight: 340.24238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O9/c1-6(16)9(12(17)18)10(11(13(19)20)15(23)24)7-2-4-8(5-3-7)14(21)22/h2-5,9-10H,1H3,(H,17,18)(H,19,20)(H,23,24)