3-chloranyl-N-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]propanamide

Systemtic Name: 3-chloranyl-N-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]propanamide Openeye Name: 3-chloro-N-(1,3,4-trioxo-6-isoquinolyl)propanamide CAS Name: 3-chloro-N-(1,3,4-trioxo-6-isoquinolinyl)propanamide IUPAC Name: 3-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)propanamide Traditional Name: 3-chloro-N-(1,3,4-triketo-6-isoquinolyl)propionamide Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCCl)C(=O)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCCl)C(=O)C(=O)NC2=O

InChI

InChI=1S/C12H9ClN2O4/c13-4-3-9(16)14-6-1-2-7-8(5-6)10(17)12(19)15-11(7)18/h1-2,5H,3-4H2,(H,14,16)(H,15,18,19)