1-oxidanylidene-2-pyridin-2-yl-4-(2H-1,2,3,4-tetrazol-5-yliminomethyl)isoquinolin-3-olate

Systemtic Name: 1-oxidanylidene-2-pyridin-2-yl-4-(2H-1,2,3,4-tetrazol-5-yliminomethyl)isoquinolin-3-olate Openeye Name: 1-oxo-2-(2-pyridyl)-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate CAS Name: 1-oxo-2-(2-pyridinyl)-4-(2H-tetrazol-5-yliminomethyl)-3-isoquinolinolate IUPAC Name: 1-oxo-2-pyridin-2-yl-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Traditional Name: 1-keto-2-(2-pyridyl)-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Formula: C16H10N7O2- MolecularWeight: 332.2963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N(C2=O)C3=CC=CC=N3)[O-])C=NC4=NNN=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N(C2=O)C3=CC=CC=N3)[O-])C=NC4=NNN=N4

InChI

InChI=1S/C16H11N7O2/c24-14-11-6-2-1-5-10(11)12(9-18-16-19-21-22-20-16)15(25)23(14)13-7-3-4-8-17-13/h1-9,25H,(H,19,20,21,22)/p-1