2-[1,3-bis(oxidanylidene)-4-[(1-phenylpyrazol-4-yl)methylidene]isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4-[(1-phenylpyrazol-4-yl)methylidene]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1,3-dioxo-4-[(1-phenylpyrazol-4-yl)methylene]-2-isoquinolyl]acetic acid CAS Name: 2-[1,3-dioxo-4-[(1-phenyl-4-pyrazolyl)methylidene]-2-isoquinolinyl]acetic acid IUPAC Name: 2-[1,3-dioxo-4-[(1-phenylpyrazol-4-yl)methylidene]isoquinolin-2-yl]acetic acid Traditional Name: 2-[1,3-diketo-4-[(1-phenylpyrazol-4-yl)methylene]-2-isoquinolyl]acetic acid Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC(=O)O

InChI

InChI=1S/C21H15N3O4/c25-19(26)13-23-20(27)17-9-5-4-8-16(17)18(21(23)28)10-14-11-22-24(12-14)15-6-2-1-3-7-15/h1-12H,13H2,(H,25,26)