5-cyano-2-(isoquinolin-3-ylcarbonylamino)benzoic acid

Systemtic Name: 5-cyano-2-(isoquinolin-3-ylcarbonylamino)benzoic acid Openeye Name: 5-cyano-2-(isoquinoline-3-carbonylamino)benzoic acid CAS Name: 5-cyano-2-[[3-isoquinolinyl(oxo)methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-(isoquinoline-3-carbonylamino)benzoic acid Traditional Name: 5-cyano-2-(isoquinoline-3-carbonylamino)benzoic acid Formula: C18H11N3O3 MolecularWeight: 317.29824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C18H11N3O3/c19-9-11-5-6-15(14(7-11)18(23)24)21-17(22)16-8-12-3-1-2-4-13(12)10-20-16/h1-8,10H,(H,21,22)(H,23,24)