sodium (3Z)-4-oxidanylidene-1-phenoxy-N-(2H-1,2,3,4-tetrazol-5-yl)-1,9a-dihydroquinolizine-3-carboximidate

Systemtic Name: sodium (3Z)-4-oxidanylidene-1-phenoxy-N-(2H-1,2,3,4-tetrazol-5-yl)-1,9a-dihydroquinolizine-3-carboximidate Openeye Name: sodium (3Z)-4-oxo-1-phenoxy-N-(2H-tetrazol-5-yl)-1,9a-dihydroquinolizine-3-carboximidate CAS Name: sodium (3Z)-4-oxo-1-phenoxy-N-(2H-tetrazol-5-yl)-1,9a-dihydroquinolizine-3-carboximidate IUPAC Name: sodium (3Z)-4-oxo-1-phenoxy-N-(2H-tetrazol-5-yl)-1,9a-dihydroquinolizine-3-carboximidate Traditional Name: sodium (3Z)-4-keto-1-phenoxy-N-(2H-tetrazol-5-yl)-1,9a-dihydroquinolizine-3-carboximidate Formula: C17H13N6NaO3 MolecularWeight: 372.31329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2C=C(C(=O)N3C2C=CC=C3)C(=NC4=NNN=N4)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2C=C(C(=O)N3C2C=CC=C3)/C(=N/C4=NNN=N4)/[O-].[Na+]

InChI

InChI=1S/C17H14N6O3.Na/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;/h1-10,13-14H,(H2,18,19,20,21,22,24);/q;+1/p-1