(4-nitrophenyl)methyl 2-(3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-(chloromethyl)but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl)-3-(chloromethyl)but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-chloro-4-oxo-azetidin-1-yl)-3-(chloromethyl)but-3-enoate CAS Name: 2-(3-acetamido-2-chloro-4-oxo-1-azetidinyl)-3-(chloromethyl)-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-chloro-4-oxoazetidin-1-yl)-3-(chloromethyl)but-3-enoate Traditional Name: 2-(3-acetamido-2-chloro-4-keto-azetidin-1-yl)-3-(chloromethyl)but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H17Cl2N3O6 MolecularWeight: 430.23938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(C(=C)CCl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1C(N(C1=O)C(C(=C)CCl)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17Cl2N3O6/c1-9(7-18)14(21-15(19)13(16(21)24)20-10(2)23)17(25)28-8-11-3-5-12(6-4-11)22(26)27/h3-6,13-15H,1,7-8H2,2H3,(H,20,23)