4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanal

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanal Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanal CAS Name: 4-(1,3-dioxo-2-isoindolyl)-3-methylbutanal IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-3-methylbutanal Traditional Name: 3-methyl-4-phthalimido-butyraldehyde Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(CC=O)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H13NO3/c1-9(6-7-15)8-14-12(16)10-4-2-3-5-11(10)13(14)17/h2-5,7,9H,6,8H2,1H3