(4-nitrophenyl)methyl 4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 4-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]-4-methyl-3-oxo-pentanoate CAS Name: 4-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]-4-methyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-4-methyl-3-oxopentanoate Traditional Name: 4-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]-3-keto-4-methyl-valeric acid (4-nitrobenzyl) ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)C(C)(C)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1C(NC1=O)C(C)(C)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H22N2O7/c1-10(21)15-16(19-17(15)24)18(2,3)13(22)8-14(23)27-9-11-4-6-12(7-5-11)20(25)26/h4-7,10,15-16,21H,8-9H2,1-3H3,(H,19,24)