3-ethyl-2-(4-nitrophenyl)-3-oxidanidyl-1,3-oxazinan-3-ium

Systemtic Name: 3-ethyl-2-(4-nitrophenyl)-3-oxidanidyl-1,3-oxazinan-3-ium Openeye Name: 3-ethyl-2-(4-nitrophenyl)-3-oxido-1,3-oxazinan-3-ium CAS Name: 3-ethyl-2-(4-nitrophenyl)-3-oxido-1,3-oxazinan-3-ium IUPAC Name: 3-ethyl-2-(4-nitrophenyl)-3-oxido-1,3-oxazinan-3-ium Traditional Name: 3-ethyl-2-(4-nitrophenyl)-3-oxido-1,3-oxazinan-3-ium Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCOC1C2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[N+]1(CCCOC1C2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H16N2O4/c1-2-14(17)8-3-9-18-12(14)10-4-6-11(7-5-10)13(15)16/h4-7,12H,2-3,8-9H2,1H3