(1-cyanoisoquinolin-7-yl)phosphonic acid

Systemtic Name: (1-cyanoisoquinolin-7-yl)phosphonic acid Openeye Name: (1-cyano-7-isoquinolyl)phosphonic acid CAS Name: (1-cyano-7-isoquinolinyl)phosphonic acid IUPAC Name: (1-cyanoisoquinolin-7-yl)phosphonic acid Traditional Name: (1-cyano-7-isoquinolyl)phosphonic acid Formula: C10H7N2O3P MolecularWeight: 234.147941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2C#N)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2C#N)P(=O)(O)O

InChI

InChI=1S/C10H7N2O3P/c11-6-10-9-5-8(16(13,14)15)2-1-7(9)3-4-12-10/h1-5H,(H2,13,14,15)