sodium 9-chloranyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromeno[2,3-b]pyridin-5-one pentahydrate

Systemtic Name: sodium 9-chloranyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromeno[2,3-b]pyridin-5-one pentahydrate Openeye Name: sodium 9-chloro-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromeno[2,3-b]pyridin-5-one pentahydrate CAS Name: sodium 9-chloro-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-5-[1]benzopyrano[2,3-b]pyridinone pentahydrate IUPAC Name: sodium 9-chloro-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromeno[2,3-b]pyridin-5-one pentahydrate Traditional Name: sodium 9-chloro-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromeno[2,3-b]pyridin-5-one pentahydrate Formula: C13H15ClN5NaO7 MolecularWeight: 411.73027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)OC3=C(C=C(C=C3C2=O)C4=NN=N[N-]4)Cl.O.O.O.O.O.[Na+]

Isomeric SMILES

C1=CC2=C(N=C1)OC3=C(C=C(C=C3C2=O)C4=NN=N[N-]4)Cl.O.O.O.O.O.[Na+]

InChI

InChI=1S/C13H5ClN5O2.Na.5H2O/c14-9-5-6(12-16-18-19-17-12)4-8-10(20)7-2-1-3-15-13(7)21-11(8)9;;;;;;/h1-5H;;5*1H2/q-1;+1;;;;;