3-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanal

Systemtic Name: 3-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanal Openeye Name: 3-(4,4-dimethyl-1,3-dioxo-2-isoquinolyl)propanal CAS Name: 3-(4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)propanal IUPAC Name: 3-(4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)propanal Traditional Name: 3-(1,3-diketo-4,4-dimethyl-2-isoquinolyl)propionaldehyde Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCC=O)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCC=O)C

InChI

InChI=1S/C14H15NO3/c1-14(2)11-7-4-3-6-10(11)12(17)15(13(14)18)8-5-9-16/h3-4,6-7,9H,5,8H2,1-2H3