(phenylmethyl) (E)-3-(acetyloxymethyl)-2-(3-azido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-4-chloranyl-but-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-(acetyloxymethyl)-2-(3-azido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-4-chloranyl-but-2-enoate Openeye Name: benzyl (E)-3-(acetoxymethyl)-2-(3-azido-2-chloro-4-oxo-azetidin-1-yl)-4-chloro-but-2-enoate CAS Name: (E)-3-(acetyloxymethyl)-2-(3-azido-2-chloro-4-oxo-1-azetidinyl)-4-chloro-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-(acetyloxymethyl)-2-(3-azido-2-chloro-4-oxoazetidin-1-yl)-4-chlorobut-2-enoate Traditional Name: (E)-3-(acetoxymethyl)-2-(3-azido-2-chloro-4-keto-azetidin-1-yl)-4-chloro-but-2-enoic acid benzyl ester Formula: C17H16Cl2N4O5 MolecularWeight: 427.23874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)N=[N+]=[N-])Cl)CCl

Isomeric SMILES

CC(=O)OC/C(=C(/C(=O)OCC1=CC=CC=C1)\N2C(C(C2=O)N=[N+]=[N-])Cl)/CCl

InChI

InChI=1S/C17H16Cl2N4O5/c1-10(24)27-9-12(7-18)14(23-15(19)13(16(23)25)21-22-20)17(26)28-8-11-5-3-2-4-6-11/h2-6,13,15H,7-9H2,1H3/b14-12-