bicyclo[3.1.0]hexa-1(6),2,4-triene; (diphenylmethyl) 2-(3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-(chloromethyl)but-3-enoate

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; (diphenylmethyl) 2-(3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-(chloromethyl)but-3-enoate Openeye Name: benzhydryl 2-(3-acetamido-2-chloro-4-oxo-azetidin-1-yl)-3-(chloromethyl)but-3-enoate; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 2-(3-acetamido-2-chloro-4-oxo-1-azetidinyl)-3-(chloromethyl)-3-butenoic acid (diphenylmethyl) ester; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: benzhydryl 2-(3-acetamido-2-chloro-4-oxoazetidin-1-yl)-3-(chloromethyl)but-3-enoate; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 2-(3-acetamido-2-chloro-4-keto-azetidin-1-yl)-3-(chloromethyl)but-3-enoic acid benzhydryl ester; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C29H26Cl2N2O4 MolecularWeight: 537.43374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(C(=C)CCl)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)Cl.C1=CC2=CC2=C1

Isomeric SMILES

CC(=O)NC1C(N(C1=O)C(C(=C)CCl)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)Cl.C1=CC2=CC2=C1

InChI

InChI=1S/C23H22Cl2N2O4.C6H4/c1-14(13-24)19(27-21(25)18(22(27)29)26-15(2)28)23(30)31-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-2-5-4-6(5)3-1/h3-12,18-21H,1,13H2,2H3,(H,26,28);1-4H