(2-nitrophenyl)methyl N-[2-[2-(1-acetamido-2-oxidanylidene-azetidin-3-yl)-2-bromanyl-ethyl]sulfanyl-2-methyl-propyl]carbamate

Systemtic Name: (2-nitrophenyl)methyl N-[2-[2-(1-acetamido-2-oxidanylidene-azetidin-3-yl)-2-bromanyl-ethyl]sulfanyl-2-methyl-propyl]carbamate Openeye Name: (2-nitrophenyl)methyl N-[2-[2-(1-acetamido-2-oxo-azetidin-3-yl)-2-bromo-ethyl]sulfanyl-2-methyl-propyl]carbamate CAS Name: N-[2-[[2-(1-acetamido-2-oxo-3-azetidinyl)-2-bromoethyl]thio]-2-methylpropyl]carbamic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl N-[2-[2-(1-acetamido-2-oxoazetidin-3-yl)-2-bromoethyl]sulfanyl-2-methylpropyl]carbamate Traditional Name: N-[2-[[2-(1-acetamido-2-keto-azetidin-3-yl)-2-bromo-ethyl]thio]-2-methyl-propyl]carbamic acid (2-nitrobenzyl) ester Formula: C19H25BrN4O6S MolecularWeight: 517.394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1CC(C1=O)C(CSC(C)(C)CNC(=O)OCC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)NN1CC(C1=O)C(CSC(C)(C)CNC(=O)OCC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C19H25BrN4O6S/c1-12(25)22-23-8-14(17(23)26)15(20)10-31-19(2,3)11-21-18(27)30-9-13-6-4-5-7-16(13)24(28)29/h4-7,14-15H,8-11H2,1-3H3,(H,21,27)(H,22,25)