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

Systemtic Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-bromanyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-bromo-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(3-acetamido-2-bromo-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-bromo-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-acetamido-2-bromo-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H18BrN3O6 MolecularWeight: 440.24532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)C)Br

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)C)Br

InChI

InChI=1S/C17H18BrN3O6/c1-9(2)14(20-15(18)13(16(20)23)19-10(3)22)17(24)27-8-11-4-6-12(7-5-11)21(25)26/h4-7,13-15H,1,8H2,2-3H3,(H,19,22)