(4-nitrophenyl)methyl 2-azido-2-[2-(cyanomethyl)-4-oxidanylidene-azetidin-1-yl]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-azido-2-[2-(cyanomethyl)-4-oxidanylidene-azetidin-1-yl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-azido-2-[2-(cyanomethyl)-4-oxo-azetidin-1-yl]acetate CAS Name: 2-azido-2-[2-(cyanomethyl)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-azido-2-[2-(cyanomethyl)-4-oxoazetidin-1-yl]acetate Traditional Name: 2-azido-2-[2-(cyanomethyl)-4-keto-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C14H12N6O5 MolecularWeight: 344.28228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N=[N+]=[N-])CC#N

Isomeric SMILES

C1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N=[N+]=[N-])CC#N

InChI

InChI=1S/C14H12N6O5/c15-6-5-11-7-12(21)19(11)13(17-18-16)14(22)25-8-9-1-3-10(4-2-9)20(23)24/h1-4,11,13H,5,7-8H2