3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)O

InChI

InChI=1S/C12H11NO4/c14-10-7-8-3-1-2-4-9(8)12(17)13(10)6-5-11(15)16/h1-4H,5-7H2,(H,15,16)