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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-1-yl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[3-(tert-butoxycarbonylamino)-2-(hydroxymethyl)-4-oxo-azetidin-1-yl]acetate CAS Name: 2-[2-(hydroxymethyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]acetate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-4-methylol-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C18H23N3O8 MolecularWeight: 409.39052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O8/c1-18(2,3)29-17(25)19-15-13(9-22)20(16(15)24)8-14(23)28-10-11-4-6-12(7-5-11)21(26)27/h4-7,13,15,22H,8-10H2,1-3H3,(H,19,25)