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

Systemtic Name: 2-(3,4-dimethylphenyl)-1-oxidanylidene-4-(2H-1,2,3,4-tetrazol-5-yliminomethyl)isoquinolin-3-olate Openeye Name: 2-(3,4-dimethylphenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate CAS Name: 2-(3,4-dimethylphenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)-3-isoquinolinolate IUPAC Name: 2-(3,4-dimethylphenyl)-1-oxo-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Traditional Name: 2-(3,4-dimethylphenyl)-1-keto-4-(2H-tetrazol-5-yliminomethyl)isoquinolin-3-olate Formula: C19H15N6O2- MolecularWeight: 359.3614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NNN=N4)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NNN=N4)[O-])C

InChI

InChI=1S/C19H16N6O2/c1-11-7-8-13(9-12(11)2)25-17(26)15-6-4-3-5-14(15)16(18(25)27)10-20-19-21-23-24-22-19/h3-10,27H,1-2H3,(H,21,22,23,24)/p-1