3-(1-ethylaziridin-1-ium-1-yl)oxycarbonylbenzoate

Systemtic Name: 3-(1-ethylaziridin-1-ium-1-yl)oxycarbonylbenzoate Openeye Name: 3-(1-ethylaziridin-1-ium-1-yl)oxycarbonylbenzoate CAS Name: 3-[(1-ethyl-1-aziridin-1-iumyl)oxy-oxomethyl]benzoate IUPAC Name: 3-(1-ethylaziridin-1-ium-1-yl)oxycarbonylbenzoate Traditional Name: 3-(1-ethylethylenimin-1-ium-1-yl)oxycarbonylbenzoate Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC1)OC(=O)C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[N+]1(CC1)OC(=O)C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-2-13(6-7-13)17-12(16)10-5-3-4-9(8-10)11(14)15/h3-5,8H,2,6-7H2,1H3