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

Systemtic Name: 2-(4-nitrophenyl)-3-oxidanidyl-3-propan-2-yl-1,3-oxazinan-3-ium Openeye Name: 3-isopropyl-2-(4-nitrophenyl)-3-oxido-1,3-oxazinan-3-ium CAS Name: 2-(4-nitrophenyl)-3-oxido-3-propan-2-yl-1,3-oxazinan-3-ium IUPAC Name: 2-(4-nitrophenyl)-3-oxido-3-propan-2-yl-1,3-oxazinan-3-ium Traditional Name: 3-isopropyl-2-(4-nitrophenyl)-3-oxido-1,3-oxazinan-3-ium Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-10(2)15(18)8-3-9-19-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,10,13H,3,8-9H2,1-2H3