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

Systemtic Name: 4-carboxy-3-(2-cyanophenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide Openeye Name: 4-carboxy-3-(2-cyanophenyl)-N,1-dihydroxy-1,5-dioxo-hexan-2-imine oxide CAS Name: 4-carboxy-3-(2-cyanophenyl)-N,1-dihydroxy-1,5-dioxo-2-hexanimine oxide IUPAC Name: 4-carboxy-3-(2-cyanophenyl)-N,1-dihydroxy-1,5-dioxohexan-2-imine oxide Traditional Name: 4-carboxy-3-(2-cyanophenyl)-N,1-dihydroxy-1,5-diketo-hexan-2-imine oxide Formula: C14H12N2O7 MolecularWeight: 320.25428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1C#N)C(=[N+](O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1C#N)/C(=[N+](\O)/[O-])/C(=O)O)C(=O)O

InChI

InChI=1S/C14H12N2O7/c1-7(17)10(13(18)19)11(12(14(20)21)16(22)23)9-5-3-2-4-8(9)6-15/h2-5,10-11H,1H3,(H,18,19)(H,20,21)(H,22,23)