calcium N-(2-chloranyl-4-fluoranyl-phenyl)-1,3-diaza-2-azanidacyclopenta-3,5-diene-4-carboximidate

Systemtic Name: calcium N-(2-chloranyl-4-fluoranyl-phenyl)-1,3-diaza-2-azanidacyclopenta-3,5-diene-4-carboximidate Openeye Name: calcium N-(2-chloro-4-fluoro-phenyl)-1,3-diaza-2-azanidacyclopenta-3,5-diene-4-carboximidate CAS Name: calcium N-(2-chloro-4-fluorophenyl)-1,3-diaza-2-azanidacyclopenta-3,5-diene-4-carboximidate IUPAC Name: calcium N-(2-chloro-4-fluorophenyl)-1,3-diaza-2-azanidacyclopenta-3,5-diene-4-carboximidate Traditional Name: calcium N-(2-chloro-4-fluoro-phenyl)-1,3-diaza-2-azanidacyclopenta-3,5-diene-4-carboximidate Formula: C9H4CaClFN4O MolecularWeight: 278.683663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)N=C(C2=N[N-]N=C2)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)N=C(C2=N[N-]N=C2)[O-].[Ca+2]

InChI

InChI=1S/C9H5ClFN4O.Ca/c10-6-3-5(11)1-2-7(6)13-9(16)8-4-12-15-14-8;/h1-4H,(H-,12,13,14,15,16);/q-1;+2/p-1