4-azanyl-7-fluoranyl-cinnoline-3-carboxylic acid hydrate

Systemtic Name: 4-azanyl-7-fluoranyl-cinnoline-3-carboxylic acid hydrate Openeye Name: 4-amino-7-fluoro-cinnoline-3-carboxylic acid hydrate CAS Name: 4-amino-7-fluoro-3-cinnolinecarboxylic acid hydrate IUPAC Name: 4-amino-7-fluorocinnoline-3-carboxylic acid hydrate Traditional Name: 4-amino-7-fluoro-cinnoline-3-carboxylic acid hydrate Formula: C9H8FN3O3 MolecularWeight: 225.176523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)N=NC(=C2N)C(=O)O.O

Isomeric SMILES

C1=CC2=C(C=C1F)N=NC(=C2N)C(=O)O.O

InChI

InChI=1S/C9H6FN3O2.H2O/c10-4-1-2-5-6(3-4)12-13-8(7(5)11)9(14)15;/h1-3H,(H2,11,12)(H,14,15);1H2