(4-nitrophenyl)methyl (E)-2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)-4-chloranyl-3-methyl-but-2-enoate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl (E)-2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)-4-chloranyl-3-methyl-but-2-enoate hydrochloride Openeye Name: (4-nitrophenyl)methyl (E)-2-(3-amino-2-oxo-azetidin-1-yl)-4-chloro-3-methyl-but-2-enoate hydrochloride CAS Name: (E)-2-(3-amino-2-oxo-1-azetidinyl)-4-chloro-3-methyl-2-butenoic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl (E)-2-(3-amino-2-oxoazetidin-1-yl)-4-chloro-3-methylbut-2-enoate hydrochloride Traditional Name: (E)-2-(3-amino-2-keto-azetidin-1-yl)-4-chloro-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester hydrochloride Formula: C15H17Cl2N3O5 MolecularWeight: 390.21858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2CC(C2=O)N)CCl.Cl

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2CC(C2=O)N)/CCl.Cl

InChI

InChI=1S/C15H16ClN3O5.ClH/c1-9(6-16)13(18-7-12(17)14(18)20)15(21)24-8-10-2-4-11(5-3-10)19(22)23;/h2-5,12H,6-8,17H2,1H3;1H/b13-9+;