(4-nitrophenyl)methyl 2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-ethoxysulfanyl-3-oxidanylidene-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-ethoxysulfanyl-3-oxidanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-chloro-4-oxo-azetidin-1-yl)-3-ethoxysulfanyl-3-oxo-propanoate CAS Name: 2-(2-chloro-4-oxo-1-azetidinyl)-3-(ethoxythio)-3-oxopropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-chloro-4-oxoazetidin-1-yl)-3-ethoxysulfanyl-3-oxopropanoate Traditional Name: 2-(2-chloro-4-keto-azetidin-1-yl)-3-(ethoxythio)-3-keto-propionic acid (4-nitrobenzyl) ester Formula: C15H15ClN2O7S MolecularWeight: 402.8068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O7S/c1-2-25-26-15(21)13(17-11(16)7-12(17)19)14(20)24-8-9-3-5-10(6-4-9)18(22)23/h3-6,11,13H,2,7-8H2,1H3