2-methyl-4-(3-oxidanylidenebutyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-methyl-4-(3-oxidanylidenebutyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione CAS Name: 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-(3-ketobutyl)-2-methyl-4H-isoquinoline-1,3-quinone Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1C2=CC=CC=C2C(=O)N(C1=O)C

Isomeric SMILES

CC(=O)CCC1C2=CC=CC=C2C(=O)N(C1=O)C

InChI

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