tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-2-yl]ethanoate; ethanal

Systemtic Name: tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-2-yl]ethanoate; ethanal Openeye Name: acetaldehyde; tert-butyl 2-[3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-2-yl]acetate CAS Name: acetaldehyde; 2-[3-(1,3-dioxo-2-isoindolyl)-4-oxo-2-azetidinyl]acetic acid tert-butyl ester IUPAC Name: acetaldehyde; tert-butyl 2-[3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-2-yl]acetate Traditional Name: acetaldehyde; 2-(4-keto-3-phthalimido-azetidin-2-yl)acetic acid tert-butyl ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC=O.CC(C)(C)OC(=O)CC1C(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC=O.CC(C)(C)OC(=O)CC1C(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H18N2O5.C2H4O/c1-17(2,3)24-12(20)8-11-13(14(21)18-11)19-15(22)9-6-4-5-7-10(9)16(19)23;1-2-3/h4-7,11,13H,8H2,1-3H3,(H,18,21);2H,1H3