(4-nitrophenyl)methyl 2-[2-aminocarbonyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-1-yl]oxyethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-aminocarbonyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-1-yl]oxyethanoate Openeye Name: (4-nitrophenyl)methyl 2-[3-(tert-butoxycarbonylamino)-2-carbamoyl-4-oxo-azetidin-1-yl]oxyacetate CAS Name: 2-[[2-carbamoyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-1-azetidinyl]oxy]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-carbamoyl-4-keto-azetidin-1-yl]oxyacetic acid (4-nitrobenzyl) ester Formula: C18H22N4O9 MolecularWeight: 438.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(N(C1=O)OCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(N(C1=O)OCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H22N4O9/c1-18(2,3)31-17(26)20-13-14(15(19)24)21(16(13)25)30-9-12(23)29-8-10-4-6-11(7-5-10)22(27)28/h4-7,13-14H,8-9H2,1-3H3,(H2,19,24)(H,20,26)