4-tert-butyl-5-(dioxidanyl)-1-methyl-4-oxidanidyl-3,5-dihydro-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: 4-tert-butyl-5-(dioxidanyl)-1-methyl-4-oxidanidyl-3,5-dihydro-1,4-benzodiazepin-4-ium-2-one Openeye Name: 4-tert-butyl-5-hydroperoxy-1-methyl-4-oxido-3,5-dihydro-1,4-benzodiazepin-4-ium-2-one CAS Name: 4-tert-butyl-5-hydroperoxy-1-methyl-4-oxido-3,5-dihydro-1,4-benzodiazepin-4-ium-2-one IUPAC Name: 4-tert-butyl-5-hydroperoxy-1-methyl-4-oxido-3,5-dihydro-1,4-benzodiazepin-4-ium-2-one Traditional Name: 4-tert-butyl-5-hydroperoxy-1-methyl-4-oxido-3,5-dihydro-1,4-benzodiazepin-4-ium-2-one Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CC(=O)N(C2=CC=CC=C2C1OO)C)[O-]

Isomeric SMILES

CC(C)(C)[N+]1(CC(=O)N(C2=CC=CC=C2C1OO)C)[O-]

InChI

InChI=1S/C14H20N2O4/c1-14(2,3)16(18)9-12(17)15(4)11-8-6-5-7-10(11)13(16)20-19/h5-8,13,19H,9H2,1-4H3