2-(4-fluoranyl-2-nitro-phenyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(4-fluoranyl-2-nitro-phenyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 2-(4-fluoro-2-nitro-phenyl)-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-(4-fluoro-2-nitrophenyl)-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-(4-fluoro-2-nitrophenyl)-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 2-(4-fluoro-2-nitro-phenyl)-1-keto-isoquinoline-4-carboxylic acid Formula: C16H9FN2O5 MolecularWeight: 328.251463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H9FN2O5/c17-9-5-6-13(14(7-9)19(23)24)18-8-12(16(21)22)10-3-1-2-4-11(10)15(18)20/h1-8H,(H,21,22)