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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-oxidanylidene-4-(2H-1,2,3,4-tetrazol-5-yliminomethyl)isoquinolin-3-olate Openeye Name: 2-(3,4-dimethoxyphenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate CAS Name: 2-(3,4-dimethoxyphenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)-3-isoquinolinolate IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Traditional Name: 2-(3,4-dimethoxyphenyl)-1-keto-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Formula: C19H15N6O4- MolecularWeight: 391.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NNN=N4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NNN=N4)[O-])OC

InChI

InChI=1S/C19H16N6O4/c1-28-15-8-7-11(9-16(15)29-2)25-17(26)13-6-4-3-5-12(13)14(18(25)27)10-20-19-21-23-24-22-19/h3-10,27H,1-2H3,(H,21,22,23,24)/p-1