4-[3-(4-oxidanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-8-yl)propanoylamino]benzoic acid; sodium

Systemtic Name: 4-[3-(4-oxidanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-8-yl)propanoylamino]benzoic acid; sodium Openeye Name: 4-[3-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-8-yl)propanoylamino]benzoic acid; sodium CAS Name: 4-[[1-oxo-3-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-8-yl)propyl]amino]benzoic acid; sodium IUPAC Name: 4-[3-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-8-yl)propanoylamino]benzoic acid; sodium Traditional Name: 4-[3-(4-keto-6H-pyrazolo[1,5-a][1,3,5]triazin-8-yl)propanoylamino]benzoic acid; sodium Formula: C15H13N5NaO4 MolecularWeight: 350.28459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCC2=CNN3C2=NC=NC3=O.[Na]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCC2=CNN3C2=NC=NC3=O.[Na]

InChI

InChI=1S/C15H13N5O4.Na/c21-12(19-11-4-1-9(2-5-11)14(22)23)6-3-10-7-18-20-13(10)16-8-17-15(20)24;/h1-2,4-5,7-8,18H,3,6H2,(H,19,21)(H,22,23);