3,3-dimethyl-11-oxidanidyl-1,5-dihydro-[1,3]dioxepino[5,6-b]quinoxalin-6-ium 6-oxide

Systemtic Name: 3,3-dimethyl-11-oxidanidyl-1,5-dihydro-[1,3]dioxepino[5,6-b]quinoxalin-6-ium 6-oxide Openeye Name: 3,3-dimethyl-11-oxido-1,5-dihydro-[1,3]dioxepino[5,6-b]quinoxalin-6-ium 6-oxide CAS Name: 3,3-dimethyl-11-oxido-1,5-dihydro-[1,3]dioxepino[5,6-b]quinoxalin-6-ium 6-oxide IUPAC Name: 3,3-dimethyl-11-oxido-1,5-dihydro-[1,3]dioxepino[5,6-b]quinoxalin-6-ium 6-oxide Traditional Name: 3,3-dimethyl-11-oxido-1,5-dihydro-[1,3]dioxepino[5,6-b]quinoxalin-6-ium 6-oxide Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=C(CO1)[N+](=O)C3=CC=CC=C3N2[O-])C

Isomeric SMILES

CC1(OCC2=C(CO1)[N+](=O)C3=CC=CC=C3N2[O-])C

InChI

InChI=1S/C13H14N2O4/c1-13(2)18-7-11-12(8-19-13)15(17)10-6-4-3-5-9(10)14(11)16/h3-6H,7-8H2,1-2H3