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

Systemtic Name: 2-(3-chlorophenyl)-1-oxidanylidene-4-(2H-1,2,3,4-tetrazol-5-yliminomethyl)isoquinolin-3-olate Openeye Name: 2-(3-chlorophenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate CAS Name: 2-(3-chlorophenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)-3-isoquinolinolate IUPAC Name: 2-(3-chlorophenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Traditional Name: 2-(3-chlorophenyl)-1-keto-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Formula: C17H10ClN6O2- MolecularWeight: 365.7533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN6O2/c18-10-4-3-5-11(8-10)24-15(25)13-7-2-1-6-12(13)14(16(24)26)9-19-17-20-22-23-21-17/h1-9,26H,(H,20,21,22,23)/p-1