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

Systemtic Name: (3-acetamido-2-chloranyl-4-oxidanylidene-azetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate Openeye Name: (3-acetamido-2-chloro-4-oxo-azetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate CAS Name: 3-methyl-2-[(4-nitrophenyl)methyl]-3-butenoic acid (3-acetamido-2-chloro-4-oxo-1-azetidinyl) ester IUPAC Name: (3-acetamido-2-chloro-4-oxoazetidin-1-yl) 3-methyl-2-[(4-nitrophenyl)methyl]but-3-enoate Traditional Name: 3-methyl-2-(4-nitrobenzyl)but-3-enoic acid (3-acetamido-2-chloro-4-keto-azetidin-1-yl) ester Formula: C17H18ClN3O6 MolecularWeight: 395.79432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)ON2C(C(C2=O)NC(=O)C)Cl

Isomeric SMILES

CC(=C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)ON2C(C(C2=O)NC(=O)C)Cl

InChI

InChI=1S/C17H18ClN3O6/c1-9(2)13(8-11-4-6-12(7-5-11)21(25)26)17(24)27-20-15(18)14(16(20)23)19-10(3)22/h4-7,13-15H,1,8H2,2-3H3,(H,19,22)