(4-nitrophenyl)methyl 5-azido-2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 5-azido-2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 5-azido-2-(2-chloro-4-oxo-azetidin-1-yl)-4,4-dimethyl-3-oxo-pentanoate CAS Name: 5-azido-2-(2-chloro-4-oxo-1-azetidinyl)-4,4-dimethyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-azido-2-(2-chloro-4-oxoazetidin-1-yl)-4,4-dimethyl-3-oxopentanoate Traditional Name: 5-azido-2-(2-chloro-4-keto-azetidin-1-yl)-3-keto-4,4-dimethyl-valeric acid (4-nitrobenzyl) ester Formula: C17H18ClN5O6 MolecularWeight: 423.80772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN=[N+]=[N-])C(=O)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)Cl

Isomeric SMILES

CC(C)(CN=[N+]=[N-])C(=O)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)Cl

InChI

InChI=1S/C17H18ClN5O6/c1-17(2,9-20-21-19)15(25)14(22-12(18)7-13(22)24)16(26)29-8-10-3-5-11(6-4-10)23(27)28/h3-6,12,14H,7-9H2,1-2H3