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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]methyl]furan-3-carboxylic acid Openeye Name: 2-[(1,3-dioxo-4H-isoquinolin-2-yl)methyl]furan-3-carboxylic acid CAS Name: 2-[(1,3-dioxo-4H-isoquinolin-2-yl)methyl]-3-furancarboxylic acid IUPAC Name: 2-[(1,3-dioxo-4H-isoquinolin-2-yl)methyl]furan-3-carboxylic acid Traditional Name: 2-[(1,3-diketo-4H-isoquinolin-2-yl)methyl]-3-furoic acid Formula: C15H11NO5 MolecularWeight: 285.25154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=CO3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=CO3)C(=O)O

InChI

InChI=1S/C15H11NO5/c17-13-7-9-3-1-2-4-10(9)14(18)16(13)8-12-11(15(19)20)5-6-21-12/h1-6H,7-8H2,(H,19,20)