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

Systemtic Name: 2-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(4,4-dimethyl-1,3-dioxo-2-isoquinolyl)acetic acid CAS Name: 2-(4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)acetic acid IUPAC Name: 2-(4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)acetic acid Traditional Name: 2-(1,3-diketo-4,4-dimethyl-2-isoquinolyl)acetic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-13(2)9-6-4-3-5-8(9)11(17)14(12(13)18)7-10(15)16/h3-6H,7H2,1-2H3,(H,15,16)