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

Systemtic Name: 3-(3-bromophenyl)-4-carboxy-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)hexan-2-imine oxide Openeye Name: 3-(3-bromophenyl)-4-carboxy-N,1-dihydroxy-1,5-dioxo-hexan-2-imine oxide CAS Name: 3-(3-bromophenyl)-4-carboxy-N,1-dihydroxy-1,5-dioxo-2-hexanimine oxide IUPAC Name: 3-(3-bromophenyl)-4-carboxy-N,1-dihydroxy-1,5-dioxohexan-2-imine oxide Traditional Name: 3-(3-bromophenyl)-4-carboxy-N,1-dihydroxy-1,5-diketo-hexan-2-imine oxide Formula: C13H12BrNO7 MolecularWeight: 374.14088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO7/c1-6(16)9(12(17)18)10(11(13(19)20)15(21)22)7-3-2-4-8(14)5-7/h2-5,9-10H,1H3,(H,17,18)(H,19,20)(H,21,22)