sodium 4-oxidanylidene-1-phenoxy-N-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)quinolizine-3-carboxamide hydrate

Systemtic Name: sodium 4-oxidanylidene-1-phenoxy-N-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)quinolizine-3-carboxamide hydrate Openeye Name: sodium 4-oxo-1-phenoxy-N-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)quinolizine-3-carboxamide hydrate CAS Name: sodium 4-oxo-1-phenoxy-N-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)-3-quinolizinecarboxamide hydrate IUPAC Name: sodium 4-oxo-1-phenoxy-N-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)quinolizine-3-carboxamide hydrate Traditional Name: sodium 4-keto-1-phenoxy-N-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)quinolizine-3-carboxamide hydrate Formula: C17H13N6NaO4 MolecularWeight: 388.31269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C3C=CC=CN3C(=O)C(=C2)C(=O)NC4=N[N-]N=N4.O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C3C=CC=CN3C(=O)C(=C2)C(=O)NC4=N[N-]N=N4.O.[Na+]

InChI

InChI=1S/C17H12N6O3.Na.H2O/c24-15(18-17-19-21-22-20-17)12-10-14(26-11-6-2-1-3-7-11)13-8-4-5-9-23(13)16(12)25;;/h1-10H,(H2,18,19,20,21,22,24);;1H2/q;+1;/p-1