6-diazonio-1,3-bis(oxidanylidene)-2-(4-pentan-2-ylphenyl)benzo[de]isoquinolin-5-olate

Systemtic Name: 6-diazonio-1,3-bis(oxidanylidene)-2-(4-pentan-2-ylphenyl)benzo[de]isoquinolin-5-olate Openeye Name: 6-diazonio-2-[4-(1-methylbutyl)phenyl]-1,3-dioxo-benzo[de]isoquinolin-5-olate CAS Name: 6-diazonio-1,3-dioxo-2-(4-pentan-2-ylphenyl)-5-benzo[de]isoquinolinolate IUPAC Name: 6-diazonio-1,3-dioxo-2-(4-pentan-2-ylphenyl)benzo[de]isoquinolin-5-olate Traditional Name: 6-diazonio-1,3-diketo-2-[4-(1-methylbutyl)phenyl]benzo[de]isoquinolin-5-olate Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+]#N)[O-])C2=O

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+]#N)[O-])C2=O

InChI

InChI=1S/C23H19N3O3/c1-3-5-13(2)14-8-10-15(11-9-14)26-22(28)17-7-4-6-16-20(17)18(23(26)29)12-19(27)21(16)25-24/h4,6-13H,3,5H2,1-2H3