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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-chloranyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-chloro-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-chloro-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-chloro-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-chloro-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C23H22ClN3O6 MolecularWeight: 471.89028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C23H22ClN3O6/c1-14(2)20(23(30)33-13-16-8-10-17(11-9-16)27(31)32)26-21(24)19(22(26)29)25-18(28)12-15-6-4-3-5-7-15/h3-11,19,21H,12-13H2,1-2H3,(H,25,28)