7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate; iron(3+); piperazine; N-pyridin-2-ylpyridin-2-amine; hydroxide; hydrate

Systemtic Name: 7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate; iron(3+); piperazine; N-pyridin-2-ylpyridin-2-amine; hydroxide; hydrate Openeye Name: ferric; 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate; piperazine; N-(2-pyridyl)pyridin-2-amine; hydroxide; hydrate CAS Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylate; iron(3+); piperazine; N-(2-pyridinyl)-2-pyridinamine; hydroxide; hydrate IUPAC Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate; iron(3+); piperazine; N-pyridin-2-ylpyridin-2-amine; hydroxide; hydrate Traditional Name: ferric; bis(2-pyridyl)amine; 7-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylate; piperazine; hydroxide; hydrate Formula: C27H30ClFFeN6O5+ MolecularWeight: 628.860703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)[O-].C1CNCCN1.C1=CC=NC(=C1)NC2=CC=CC=N2.O.[OH-].[Fe+3]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)[O-].C1CNCCN1.C1=CC=NC(=C1)NC2=CC=CC=N2.O.[OH-].[Fe+3]

InChI

InChI=1S/C13H9ClFNO3.C10H9N3.C4H10N2.Fe.2H2O/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-6-4-3-5-1;;;/h3-6H,1-2H2,(H,18,19);1-8H,(H,11,12,13);5-6H,1-4H2;;2*1H2/q;;;+3;;/p-2