(4-nitrophenyl)methyl 2-(2-chloranyl-3-ethyl-4-oxidanylidene-azetidin-1-yl)-3-(1,3-dioxan-5-yloxysulfanyl)-3-oxidanylidene-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-chloranyl-3-ethyl-4-oxidanylidene-azetidin-1-yl)-3-(1,3-dioxan-5-yloxysulfanyl)-3-oxidanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-chloro-3-ethyl-4-oxo-azetidin-1-yl)-3-(1,3-dioxan-5-yloxysulfanyl)-3-oxo-propanoate CAS Name: 2-(2-chloro-3-ethyl-4-oxo-1-azetidinyl)-3-(1,3-dioxan-5-yloxythio)-3-oxopropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-chloro-3-ethyl-4-oxoazetidin-1-yl)-3-(1,3-dioxan-5-yloxysulfanyl)-3-oxopropanoate Traditional Name: 2-(2-chloro-3-ethyl-4-keto-azetidin-1-yl)-3-(1,3-dioxan-5-yloxythio)-3-keto-propionic acid (4-nitrobenzyl) ester Formula: C19H21ClN2O9S MolecularWeight: 488.89604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)SOC3COCOC3)Cl

Isomeric SMILES

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)SOC3COCOC3)Cl

InChI

InChI=1S/C19H21ClN2O9S/c1-2-14-16(20)21(17(14)23)15(19(25)32-31-13-8-28-10-29-9-13)18(24)30-7-11-3-5-12(6-4-11)22(26)27/h3-6,13-16H,2,7-10H2,1H3