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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-chloranyl-3-methyl-4-oxidanylidene-azetidin-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-chloro-3-methyl-4-oxo-azetidin-1-yl)-4,4-dimethyl-3-oxo-pentanoate CAS Name: 2-(2-chloro-3-methyl-4-oxo-1-azetidinyl)-4,4-dimethyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-chloro-3-methyl-4-oxoazetidin-1-yl)-4,4-dimethyl-3-oxopentanoate Traditional Name: 2-(2-chloro-4-keto-3-methyl-azetidin-1-yl)-3-keto-4,4-dimethyl-valeric acid (4-nitrobenzyl) ester Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C1=O)C(C(=O)C(C)(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1C(N(C1=O)C(C(=O)C(C)(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN2O6/c1-10-15(19)20(16(10)23)13(14(22)18(2,3)4)17(24)27-9-11-5-7-12(8-6-11)21(25)26/h5-8,10,13,15H,9H2,1-4H3