(4-nitrophenyl)methyl 2-acetyloxy-2-[(3S,4R)-2-oxidanylidene-4-pent-3-ynyl-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-acetyloxy-2-[(3S,4R)-2-oxidanylidene-4-pent-3-ynyl-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-acetoxy-2-[(3S,4R)-2-oxo-4-pent-3-ynyl-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate CAS Name: 2-acetyloxy-2-[(3S,4R)-2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-pent-3-ynyl-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-acetyloxy-2-[(3S,4R)-2-oxo-4-pent-3-ynyl-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate Traditional Name: 2-acetoxy-2-[(3S,4R)-2-keto-4-pent-3-ynyl-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C27H27N3O9 MolecularWeight: 537.51798

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC1C(C(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC#CCC[C@@H]1[C@@H](C(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O9/c1-3-4-6-11-22-24(28-23(32)17-37-21-9-7-5-8-10-21)25(33)29(22)26(39-18(2)31)27(34)38-16-19-12-14-20(15-13-19)30(35)36/h5,7-10,12-15,22,24,26H,6,11,16-17H2,1-2H3,(H,28,32)/t22-,24+,26?/m1/s1